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Molecule

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

Identifiers

CAS Registry Number

6424-77-7

SMILES

COc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(OC)cc2)C6=O)cc1

InChI Key

VZFVREBNFMQPSI-UHFFFAOYSA-N

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

Names and Synonyms

  • Pigment Red 190 Common Name
  • Reduced Scarlet R Synonym
  • Anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone, 2,9-bis(4-methoxyphenyl)- Synonym
  • 3,4,9,10-Perylenetetracarboxylic 3,4:9,10-diimide, N,N′-bis(p-methoxyphenyl)- Synonym
  • 2,9-Bis(4-methoxyphenyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetrone Synonym
  • C.I. 71140 Synonym
  • Carbanthrene Scarlet R Synonym
  • Fenanthren Scarlet R Synonym
  • Indanthrene Scarlet RA Synonym
  • Indanthren Scarlet R Synonym
  • C.I. Vat Red 29 Synonym
  • Perylenetetracarboxylic acid di-p-anisidide Synonym
  • Indofast Brilliant Scarlet R 6500 Synonym
  • Perylene Scarlet Synonym
  • C.I. Pigment Red 190 Synonym
  • Perylene Red Synonym
  • Sumitone Fast Red 3BR Synonym
  • Vat Red 29 Synonym
  • Pigment Red 190 Synonym
  • Fast Red H 888-0787 Synonym
  • 2,9-Bis[4-methoxyphenyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H-tetrone Synonym
  • N,N′-Bis(p-methoxyphenyl)perylene-3,4,9,10-tetracarboxylic diimide Synonym
  • Vat Scarlet R Synonym
  • Supandai PLR-FC 222 Synonym
  • 2,9-Bis(4-methoxyphenyl)anthra[2,1,9-def:6,5,10-d'e'f′]diisoquinoline-1,3,8,10(2H,9H)-tetraone Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 602.60 g/mol CAS Common Chemistry
602.6020000000003 g/mol RDKit
602.602 g/mol RDKit
604.618 g/mol chempirical lib
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
92.76 Ų chempirical lib
LogP 7.355600000000006 RDKit
7.3556 RDKit
Molar Refractivity 175.91999999999973 cm³/mol RDKit
Ring Count 9 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.0526 RDKit
Exact Mass 602.1477864240001 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 = 602.60 g/mol. Edit any field — others recompute live.

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