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Pigment Red 190
CAS: 6424-77-7 | C38H22N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
6424-77-7
Molecular Formula:
C38H22N2O6
Molecular Mass:
602.60 g/mol
Names and Synonyms:
Pigment Red 190
Reduced Scarlet R
Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(4-methoxyphenyl)-
3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide, N,N′-bis(p-methoxyphenyl)-
2,9-Bis(4-methoxyphenyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
C.I. 71140
Carbanthrene Scarlet R
Fenanthren Scarlet R
Indanthrene Scarlet RA
Indanthren Scarlet R
C.I. Vat Red 29
Perylenetetracarboxylic acid di-p-anisidide
Indofast Brilliant Scarlet R 6500
Perylene Scarlet
C.I. Pigment Red 190
Perylene Red
Sumitone Fast Red 3BR
Vat Red 29
Pigment Red 190
Fast Red H 888-0787
2,9-Bis[4-methoxyphenyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H-tetrone
N,N′-Bis(p-methoxyphenyl)perylene-3,4,9,10-tetracarboxylic diimide
Vat Scarlet R
Supandai PLR-FC 222
2,9-Bis(4-methoxyphenyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone
Identifiers:
SMILES:
COc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(OC)cc2)C6=O)cc1
InChI:
InChI=1S/C38H22N2O6/c1-45-21-7-3-19(4-8-21)39-35(41)27-15-11-23-25-13-17-29-34-30(38(44)40(37(29)43)20-5-9-22(46-2)10-6-20)18-14-26(32(25)34)24-12-16-28(36(39)42)33(27)31(23)24/h3-18H,1-2H3
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 602.60 g/mol | CAS Common Chemistry |
| 602.6020000000003 g/mol | RDKit | |
| 602.1477864240001 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pigment_Red_190 | CAS Common Chemistry |
| Canonical SMILES | O=C1C2=CC=C3C4=CC=C5C(=O)N(C(=O)C6=CC=C(C=7C=CC(C(=O)N1C8=CC=C(OC)C=C8)=C2C37)C4=C56)C9=CC=C(OC)C=C9 | CAS Common Chemistry |
| InChI | InChI=1S/C38H22N2O6/c1-45-21-7-3-19(4-8-21)39-35(41)27-15-11-23-25-13-17-29-34-30(38(44)40(37(29)43)20-5-9-22(46-2)10-6-20)18-14-26(32(25)34)24-12-16-28(36(39)42)33(27)31(23)24/h3-18H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VZFVREBNFMQPSI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Pigment Red 190 | CAS Common Chemistry |
| Heavy Atom Count | 46 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 93.22 Ų | RDKit |
| LogP | 7.355600000000006 | RDKit |
| Molar Refractivity | 175.91999999999973 | RDKit |
