Indanthrene Red Brown 5RF

HCID 197846

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Basic information

CAS: 6247-46-7
Standard SMILES: COc1ccc(NC(=O)c2ccccc2)c2c(=O)c3ccc4c5cc(NC(=O)c6ccccc6)c6c(=O)c7ccccc7c(=O)c6c5[nH]c4c3c(=O)c12
InChIKey: RPQNSJZVMKWIRT-UHFFFAOYSA-N
Molecular formula: C43H25N3O7
Average molar mass: 695.7 g/mol
Monoisotopic mass: 695.16925015

Overview

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Names & identifiers

Preferred name: Indanthrene Red Brown 5RF
IUPAC: N-(28-benzamido-11-methoxy-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-1(29),2(15),3,5(14),7,9,11,17,20,22,24,27-dodecaen-8-yl)benzamide

Names & synonyms

Indanthrene Red Brown 5RF6247-46-7C.I. 69020N-(28-benzamido-11-methoxy-6,13,19,26-tetraoxo-16-azaheptacyclo[15.12.0.02,15.05,14.07,12.018,27.020,25]nonacosa-1(29),2(15),3,5(14),7,9,11,17,20,22,24,27-dodecaen-8-yl)benzamideC.I. Vat Brown 25Fenanthrene Red Brown 5RIndanthren Red Brown 5RFMikethrene Red Brown 5RFHned kypova 25 [Czech]Carbanthrene Red Brown 5RHned kypova 25Ostanthren Reddish Brown 5RF

Show more names

Indanthrene Reddish Brown 5RFEINECS 228-367-4BRN 0382455Hned cervenava ostanthrenova 5 RF [Czech]Hned cervenava ostanthrenova 5 RF2-22-00-00461 (Beilstein Handbook Reference)SCHEMBL30544873DTXSID50211508

Database identifiers

CAS: 6247-46-7
PubChem CID: 197846
DTXSID: DTXSID50211508
EC Number: 228-367-4
Nikkaji: J86.413G

Properties

Computed structural properties

XLogP: 8
Topological polar surface area: 152 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 53
Formal charge: 0
Complexity: 1,500

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