9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol

C27H29NO — CID 10156821

IUPAC9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ccccc2)CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO/c29-27(23-15-8-3-9-16-23)19-24-17-10-18-25(20-27)28(24)26(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-26,29H,10,17-20H2
InChIKeySDVZRKUEUJWWHJ-UHFFFAOYSA-N
MW383.54 g/mol
LogP5.68
Rot. Bonds4

About 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol

9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 10156821) has the molecular formula C27H29NO and a molecular weight of 383.54 g/mol. Its IUPAC name is 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID10156821
Molecular FormulaC27H29NO
Molecular Weight383.54 g/mol
Exact Mass383.22
IUPAC Name9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESOC1(c2ccccc2)CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H29NO/c29-27(23-15-8-3-9-16-23)19-24-17-10-18-25(20-27)28(24)26(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-26,29H,10,17-20H2
InChIKeySDVZRKUEUJWWHJ-UHFFFAOYSA-N
XLogP5.68
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.54
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 10156821) is 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol is OC1(c2ccccc2)CC2CCCC(C1)N2C(c1ccccc1)c1ccccc1.
What is the InChIKey of 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is SDVZRKUEUJWWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO/c29-27(23-15-8-3-9-16-23)19-24-17-10-18-25(20-27)28(24)26(21-11-4-1-5-12-21)22-13-6-2-7-14-22/h1-9,11-16,24-26,29H,10,17-20H2.
What are the key properties of 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol?
9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 383.54 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydryl-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 10156821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).