Basic information
- CAS
22244-16-2- Standard SMILES
C1=CC(=C(c2ccc(Nc3ccccc3)cc2)c2ccc(Nc3ccccc3)cc2)C=CC1=Nc1ccccc1- InChIKey
MIIMIZNJMPQNKO-UHFFFAOYSA-N- Molecular formula
- C37H29N3
- Average molar mass
- 515.6 g/mol
- Monoisotopic mass
- 515.23614794
Overview
Spirit blue base is an aromatic amime that is the base component of spirit blue dye (the hydrochloride salt). It has a role as a dye. It is an imine, an aromatic amine, a secondary amino compound and an olefinic compound. It is a conjugate base of a spirit blue(1+).
Names & identifiers
- Preferred name
- Benzenamine, 4,4'-((4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methylene)bis(N-phenyl-
- IUPAC
- 4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylaniline
Names & synonyms
Benzenamine, 4,4'-((4-(phenylimino)-2,5-cyclohexadien-1-ylidene)methylene)bis(N-phenyl-Benzenamine, 4,4'-[[4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methylene]bis[N-phenyl-RefChem:56174822244-16-2N,N'-[{[4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methylene}di(4,1-phenylene)]dianilineDTXSID3043865SCHEMBL13139598CHEBI:86491MIIMIZNJMPQNKO-UHFFFAOYSA-N4-[(4-anilinophenyl)-(4-phenyliminocyclohexa-2,5-dien-1-ylidene)methyl]-N-phenylanilineBenzenamine, N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methyl]-Q27159192
Database identifiers
- CAS
22244-16-2- PubChem CID
- 16535
- DTXSID
DTXSID3043865- ChEBI
CHEBI:86491- Nikkaji
- J293.449C
Properties
Computed structural properties
- XLogP
- 9.5
- Topological polar surface area
- 36.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 834
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4,4'-[[4-(phenylimino)-2,5-cyclohexadien-1-ylidene]methylene]bis[N-phenyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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