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Violanthrone

CAS: 116-71-2 | C34H16O2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 116-71-2
Molecular Formula: C34H16O2
Molecular Weight: 456.5000000000002 g/mol

Names and Synonyms:

Violanthrone
Cibanone Navy Blue 01
Navinon Blue BO
NSC 2212
Vat Blue BO
Indanthrene Dark Blue DB
Indanthren Dark Blue DB
Caledon Navy BM
Violanthrene N
Cibanone Dark Blue BOA
Ostanthren Dark Blue BOA
Solanthrene Dark Blue BOA
Farbanthren Dark Blue BOA
Pigment Blue 65
C.I. Pigment Blue 65
Vat Dark Blue O
Solanthrene Dark Blue F-BA
Vat Blue 20
Sandothrene Dark Blue BOA
Mikethrene Dark Blue B
Dinaphtho[1,2,3-cd:3′,2′,1′-lm]perylene-5,10-dione
5,10-Violanthrenedione
Violanthrone A
C.I. Vat Blue 20
Tyrian Dark Blue I-BOA
Tinon Dark Blue MBA
Tinon Dark Blue MB
Tinon Dark Blue BOR
Tinon Dark Blue BOA
Tinon Dark Blue BO
Solanthrene Dark Blue BA
Solanthrene Dark Blue B
Sandothrene Dark Blue NMBA
Sandothrene Dark Blue NBOA
Sandothrene Dark Blue NBO
Sandothrene Dark Blue NBM
Romantrene Dark Blue FBO
Ponsol Dark Blue BRD
Ponsol Dark Blue BR
Pernithrene Dark Blue BOA
Paradone Dark Blue 58321
Paradone Dark Blue
Palanthrene Dark Blue BOA
Nyanthrene Navy Blue BR
Nihonthrene Dark Blue BOA
Nihonthrene Dark Blue BO
Navinon Dark Blue BO
Mikethrene Dark Blue BOA
Mikethrene Dark Blue BO
Leucosol Dark Blue BR
Irgalite Blue 2R
Indanthrene Dark Blue BO
Indanthren Dark Blue BOA
Hydroform Deep Blue BOA
Fenanthren Dark Blue BO
Endurol Dark Blue BOR
Dibenzanthrone
Cibanone Dark Blue MBA
Cibanone Dark Blue FMBA
Cibanone Dark Blue FBOA
Cibanone Dark Blue BO
Carbanthrene Printing Dark Blue DR
Carbanthrene Dark Blue DR
Caledon Printing Dark Blue BM
Caledon Dark Blue BM
Calcoloid Dark Blue BOD
Calcoloid Dark Blue BO
Calcoloid Dark Blue B 2R
Bianthrone A
Benzadone Navy Blue R
Benzadone Dark Blue BORI
Benzadone Dark Blue BOR
Benzadone Dark Blue BOA
Belanthrene Dark Blue BO
Anthravat Dark Blue BO
Amanthrene Supra Dark Blue BO
Amanthrene Dark Blue BO
Ahcovat Dark Blue BO
C.I. 59800
Violanthrone
Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione

Identifiers:

SMILES:
O=C1c2ccccc2-c2ccc3c4ccc5c6c(ccc(c7ccc1c2c73)c64)C(=O)c1ccccc1-5
InChI:
InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H

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.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 456.5000000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 456.115029752 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 36 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 7 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 34.14 Ų RDKit

Physical Properties

Property Value Source
LogP 8.160000000000004 RDKit
molecular_mass 456.50 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Violanthrone None Legacy Database
cas-canonical-smile O=C1C=2C=CC=CC2C=3C=CC=4C5=CC=C6C=7C=CC=CC7C(=O)C=8C=CC(C9=CC=C1C3C94)=C5C86 None Legacy Database
cas-inchi InChI=1S/C34H16O2/c35-33-25-7-3-1-5-17(25)19-9-11-21-22-12-10-20-18-6-2-4-8-26(18)34(36)28-16-14-24(30(22)32(20)28)23-13-15-27(33)31(19)29(21)23/h1-16H None Legacy Database
cas-inchi-key InChIKey=YKSGNOMLAIJTLT-UHFFFAOYSA-N None Legacy Database
cas-melting-point 338-339 °C None Legacy Database
cas-name Anthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione None Legacy Database
wikipedia-name Violanthrone None Legacy Database

Molar

Property Value Source
Molar Refractivity 145.3889999999998 RDKit

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