N-[4-[[4-(Diethylamino)phenyl][4-[(4-methylphenyl)amino]-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium
Basic information
- CAS
92921-42-1- Standard SMILES
CCN(CC)c1ccc(C(=C2C=CC(=[NH+]c3ccc(C)cc3)c3ccccc32)c2ccc(N(CC)CC)cc2)cc1- InChIKey
AFMOGKVGRMYOOI-UHFFFAOYSA-O- Molecular formula
- C38H42N3+
- Average molar mass
- 540.8 g/mol
- Monoisotopic mass
- 540.33787335
Names & identifiers
- Preferred name
- N-[4-[[4-(Diethylamino)phenyl][4-[(4-methylphenyl)amino]-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium
- IUPAC
- [4-[bis[4-(diethylamino)phenyl]methylidene]naphthalen-1-ylidene]-(4-methylphenyl)azanium
Names & synonyms
6BV9XC9G6PSCHEMBL12396650N-[4-[[4-(Diethylamino)phenyl][4-[(4-methylphenyl)amino]-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethylethanaminium92921-42-1Ethanaminium, N-[4-[[4-(diethylamino)phenyl][4-[(4-methylphenyl)amino]-1-naphthalenyl]methylene]-2,5-cyclohexadien-1-ylidene]-N-ethyl-
Database identifiers
- CAS
92921-42-1- PubChem CID
- 407807
- UNII
- 6BV9XC9G6P
- Nikkaji
- J260.472H
Properties
Computed structural properties
- XLogP
- 9.6
- Topological polar surface area
- 20.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 41
- Formal charge
- 1
- Complexity
- 850
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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