Back to Search
Direct Blue 15
CAS: 2429-74-5 | C34H28N6Na4O16S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2429-74-5
Molecular Formula:
C34H28N6Na4O16S4
Molecular Weight:
996.8520000000002 g/mol
Names and Synonyms:
Direct Blue 15
2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis(2,1-diazenediyl)]bis[5-amino-4-hydroxy-, sodium salt (1:4)
Direct Sky Blue
2,7-Naphthalenedisulfonic acid, 3,3′-[(3,3′-dimethoxy[1,1′-biphenyl]-4,4′-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt
C.I. Direct Blue 15
C.I. 24400
Airedale Blue D
Aizen Direct Sky Blue 5BH
Amanil Sky Blue
Atlantic Sky Blue A
Atul Direct Sky Blue
Azine Sky Blue 5B
Belamine Sky Blue A
Benzanil Sky Blue
Benzo Sky Blue S
Benzo Sky Blue A-CF
Chloramine Sky Blue A
Chloramine Sky Blue 4B
Chrome Leather Pure Blue
Cresotine Pure Blue
Diacotton Sky Blue 5B
Diamine Sky Blue
Diaphtamine Pure Blue
Diazol Pure Blue 4B
Diphenyl Brilliant Blue
Diphenyl Sky Blue 6B
Direct Blue 10G
Direct Blue 15
Direct Blue HH
Direct Pure Blue M
Direct Sky Blue A
Enianil Pure Blue AN
Fenamin Sky Blue
Hispamin Sky Blue 3B
Kayaku Direct Sky Blue 5B
Mitsui Direct Sky Blue 5B
Naphtamine Blue 10G
Niagara Blue 4B
Niagara Sky Blue
Nippon Direct Sky Blue
Nitto Direct Sky Blue 5B
Phenamine Sky Blue A
Shikiso Direct Sky Blue 5B
Sky Blue 4B
Sky Blue 5B
Tertrodirect Blue F
Vondacel Blue HH
Pontamine Sky Blue 5BX
Direct Sky Blue 5B
Cartasol Blue 2GF
Diamine Blue 6B
Direct Pure Blue
Paper Blue S
Kayafect Blue Y
Aizen Direct Sky Blue 5B
Nippon Sky Blue
Oxamine Sky Blue 5B
Direct Blue FFN
Direct Lake Blue 5B
Direct Blue FFN-B 15
Resacor Blue 2F
Methyl Violet 5BN
Lake Blue 5B
Identifiers:
SMILES:
COc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(OC)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O.[Na].[Na].[Na].[Na]
InChI:
InChI=1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 996.85 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Direct_Blue_15 None | Legacy Database |
| cas-canonical-smile | [Na].O=S(=O)(O)C1=CC(N)=C2C(O)=C(N=NC=3C=CC(=CC3OC)C4=CC=C(N=NC5=C(O)C6=C(N)C=C(C=C6C=C5S(=O)(=O)O)S(=O)(=O)O)C(OC)=C4)C(=CC2=C1)S(=O)(=O)O None | Legacy Database |
| cas-inchi | InChI=1S/C34H28N6O16S4.4Na/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42;;;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;; None | Legacy Database |
| cas-inchi-key | InChIKey=DMIFRONOSFLVBR-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Direct Blue 15 None | Legacy Database |
| wikipedia-name | Direct Blue 15 None | Legacy Database |
| LogP | 4.547200000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 996.8520000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 996.0035399360002 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 64 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 18 count | RDKit |
| Hydrogen Bond Donors | 8 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 11 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 6 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 377.88 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 235.65879999999987 | RDKit |
