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Pigment Red 149
CAS: 4948-15-6 | C40H26N2O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
4948-15-6
Molecular Formula:
C40H26N2O4
Molecular Mass:
598.66 g/mol
Names and Synonyms:
Pigment Red 149
Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(3,5-dimethylphenyl)-
3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide, N,N′-di-3,5-xylyl-
2,9-Bis(3,5-dimethylphenyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone
N,N′-Bis(3′,5′-dimethylphenyl)perylene-3,4,9,10-dicarboimide
Perylene-3,4,9,10-tetracarboxylic acid bis(3′,5′-dimethylanilide)
N,N′-Bis(3,5-dimethylphenyl)perylene-3,4,9,10-tetracarboxylic 3,4:9,10-diimide
C.I. Pigment Red 149
Permanent Red BC
Permanent Red BL
PV Fast Red B
Pigment Red 149
Novoperm Red BL
Kayaset Red E-GR
Perylene PV Fast Red B
Paliogen Red K 3580
PV Solid Red B
C.I. 71137
Lionogen Red H 103B
N,N′-Bis(3,5-dimethylphenyl)-3,4:9,10-perylenebis(dicarboximide)
N,N′-Di(3,5-xylyl)perylene-3,4:9,10-bis(dicarboximide)
N,N′-Bis(3,5-dimethylphenyl)-3,4:9,10-perylenebis(dicarboxyimide)
N,N′-Bis(3,5-xylyl)perylene-3,4:9,10-bis(dicarboximide)
Dymic MBR 155
MBR 155
Red K 3580
PR 149 Red
PR 149
C.I. PR 149
Red 04
Exalite 613
Palamid Red 35-8005
Dymic MBR 155 Red
Identifiers:
SMILES:
Cc1cc(C)cc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2cc(C)cc(C)c2)C6=O)c1
InChI:
InChI=1S/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3
Key Properties
Melting Point
200-201 °C
CAS Common Chemistry
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 | 598.66 g/mol | CAS Common Chemistry |
| 598.6580000000004 g/mol | RDKit | |
| 598.189257312 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Pigment_Red_149 | CAS Common Chemistry |
| Canonical SMILES | O=C1C2=CC=C3C4=CC=C5C(=O)N(C=6C=C(C=C(C6)C)C)C(=O)C7=CC=C(C=8C=CC(C(=O)N1C=9C=C(C=C(C9)C)C)=C2C38)C4=C57 | CAS Common Chemistry |
| InChI | InChI=1S/C40H26N2O4/c1-19-13-20(2)16-23(15-19)41-37(43)29-9-5-25-27-7-11-31-36-32(40(46)42(39(31)45)24-17-21(3)14-22(4)18-24)12-8-28(34(27)36)26-6-10-30(38(41)44)35(29)33(25)26/h5-18H,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FDXVHZCFTCIKDD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 200-201 °C | CAS Common Chemistry |
| Name | Pigment Red 149 | CAS Common Chemistry |
| Heavy Atom Count | 46 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 7 | RDKit |
| Topological Polar Surface Area | 74.76 Ų | RDKit |
| LogP | 8.572080000000003 | RDKit |
| Molar Refractivity | 181.76399999999967 | RDKit |
