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Molecule

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

Identifiers

CAS Registry Number

4948-15-6

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 Key

FDXVHZCFTCIKDD-UHFFFAOYSA-N

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

Names and Synonyms

  • Pigment Red 149 Common Name
  • 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)- Synonym
  • 3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide, N,N′-di-3,5-xylyl- Synonym
  • 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 Synonym
  • N,N′-Bis(3′,5′-dimethylphenyl)perylene-3,4,9,10-dicarboimide Synonym
  • Perylene-3,4,9,10-tetracarboxylic acid bis(3′,5′-dimethylanilide) Synonym
  • N,N′-Bis(3,5-dimethylphenyl)perylene-3,4,9,10-tetracarboxylic 3,4:9,10-diimide Synonym
  • C.I. Pigment Red 149 Synonym
  • Permanent Red BC Synonym
  • Permanent Red BL Synonym
  • PV Fast Red B Synonym
  • Pigment Red 149 Synonym
  • Novoperm Red BL Synonym
  • Kayaset Red E-GR Synonym
  • Perylene PV Fast Red B Synonym
  • Paliogen Red K 3580 Synonym
  • PV Solid Red B Synonym
  • C.I. 71137 Synonym
  • Lionogen Red H 103B Synonym
  • N,N′-Bis(3,5-dimethylphenyl)-3,4:9,10-perylenebis(dicarboximide) Synonym
  • N,N′-Di(3,5-xylyl)perylene-3,4:9,10-bis(dicarboximide) Synonym
  • N,N′-Bis(3,5-dimethylphenyl)-3,4:9,10-perylenebis(dicarboxyimide) Synonym
  • N,N′-Bis(3,5-xylyl)perylene-3,4:9,10-bis(dicarboximide) Synonym
  • Dymic MBR 155 Synonym
  • MBR 155 Synonym
  • Red K 3580 Synonym
  • PR 149 Red Synonym
  • PR 149 Synonym
  • C.I. PR 149 Synonym
  • Red 04 Synonym
  • Exalite 613 Synonym
  • Palamid Red 35-8005 Synonym
  • Dymic MBR 155 Red Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 598.66 g/mol CAS Common Chemistry
598.6580000000004 g/mol RDKit
598.658 g/mol RDKit
600.674 g/mol chempirical lib
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
74.3 Ų chempirical lib
LogP 8.572080000000003 RDKit
8.5721 RDKit
Molar Refractivity 181.76399999999967 cm³/mol RDKit
Ring Count 9 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.1 RDKit
Exact Mass 598.189257312 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

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MW = 598.66 g/mol. Edit any field — others recompute live.

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