3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-2,4-diphenyl-9-ethynyl-, (endo,endo,syn)-

HCID 50164

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Basic information

CAS: 68392-66-5
Standard SMILES: C#CC1(O)C2CCCC1C(c1ccccc1)N(C(=O)c1ccccc1)C2c1ccccc1
InChIKey: SBDCSSFKGJMKST-UHFFFAOYSA-N
Molecular formula: C29H27NO2
Average molar mass: 421.5 g/mol
Monoisotopic mass: 421.2041791

Names & identifiers

Preferred name: 3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-2,4-diphenyl-9-ethynyl-, (endo,endo,syn)-
IUPAC: (9-ethynyl-9-hydroxy-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-3-yl)-phenylmethanone

Names & synonyms

68392-66-5(endo,endo,syn)-3-Benzoyl-2,4-diphenyl-9-ethynyl-3-azabicyclo(3.3.1)nonan-9-ol3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-9-ethynyl-2,4-diphenyl-, endo-3-Azabicyclo(3.3.1)nonan-9-ol, 3-benzoyl-2,4-diphenyl-9-ethynyl-, (endo,endo,syn)-RefChem:276771DTXSID30987956N-benzoyl-2,4-diphenyl-9-ethynyl-3-azabicyclo[3.3.1]nonane-9-ol(9-Ethynyl-9-hydroxy-2,4-diphenyl-3-azabicyclo[3.3.1]nonan-3-yl)(phenyl)methanone

Database identifiers

CAS: 68392-66-5
PubChem CID: 50164
DTXSID: DTXSID30987956

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 32
Formal charge: 0
Complexity: 670

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