1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(4-(dimethylamino)-, (E)-2-butenedioate (1:1)
Basic information
- CAS
56109-67-2- Standard SMILES
CCn1c2ccc(C(=O)CCCN(C)C)cc2c2cc(C(=O)CCCN(C)C)ccc21.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O- InChIKey
FDNBDLVWLOTIQH-SPIKMXEPSA-N- Molecular formula
- C34H43N3O10
- Average molar mass
- 653.7 g/mol
- Monoisotopic mass
- 653.29484458
Names & identifiers
- Preferred name
- 1-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(4-(dimethylamino)-, (E)-2-butenedioate (1:1)
- IUPAC
- bis((Z)-but-2-enedioic acid);4-(dimethylamino)-1-[6-[4-(dimethylamino)butanoyl]-9-ethylcarbazol-3-yl]butan-1-one
Names & synonyms
NSC 29281656109-67-21-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis(4-(dimethylamino)-, (E)-2-butenedioate (1:1)NSC2928161-Butanone, 1,1'-(9-ethyl-9H-carbazole-3,6-diyl)bis[4-(dimethylamino)-, (E)-2-butenedioate (1:1)4-(dimethylamino)-1-[6-[4-(dimethylamino)butanoyl]-9-ethyl-carbazol-3-yl]butan-1-one; maleic acid
Database identifiers
- CAS
56109-67-2- PubChem CID
- 6450892
Properties
Computed structural properties
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 15
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 674
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Compound notes
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