3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetraphenyl-

HCID 54811

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Basic information

CAS: 82058-25-1
Standard SMILES: CCNC(=O)N1C(c2ccccc2)C2C(=O)C(C(c3ccccc3)NC2c2ccccc2)C1c1ccccc1
InChIKey: ITMYAKZQPZORAN-UHFFFAOYSA-N
Molecular formula: C34H33N3O2
Average molar mass: 515.6 g/mol
Monoisotopic mass: 515.2572773

Names & identifiers

Preferred name: 3,7-Diazabicyclo(3.3.1)nonane-3-carboxamide, N-ethyl-9-oxo-2,4,6,8-tetraphenyl-
IUPAC: N-ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxamide

Names & synonyms

ITA 428BRN 567927982058-25-1N-Ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo(3.3.1)nonane-3-carboxamide3,7-DIAZABICYCLO(3.3.1)NONANE-3-CARBOXAMIDE, N-ETHYL-9-OXO-2,4,6,8-TETRAPHENYL-RefChem:272548DTXSID101002432N-Ethyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carboximidic acid

Database identifiers

CAS: 82058-25-1
PubChem CID: 54811
DTXSID: DTXSID101002432
Nikkaji: J68.382E

Properties

Computed structural properties

XLogP: 4.9
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 39
Formal charge: 0
Complexity: 766

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