9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene

C27H27N — CID 171968666

IUPAC9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESC1=C(c2ccccc2-c2ccccc2)CC2CCCC1N2Cc1ccccc1
InChIInChI=1S/C27H27N/c1-3-10-21(11-4-1)20-28-24-14-9-15-25(28)19-23(18-24)27-17-8-7-16-26(27)22-12-5-2-6-13-22/h1-8,10-13,16-18,24-25H,9,14-15,19-20H2
InChIKeyHPMZKNKAMLOQGQ-UHFFFAOYSA-N
MW365.52 g/mol
LogP6.56
Rot. Bonds4

About 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene

9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene (PubChem CID 171968666) has the molecular formula C27H27N and a molecular weight of 365.52 g/mol. Its IUPAC name is 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene.

Molecular Properties

Compound Name9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
PubChem CID171968666
Molecular FormulaC27H27N
Molecular Weight365.52 g/mol
Exact Mass365.21
IUPAC Name9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene
SMILESC1=C(c2ccccc2-c2ccccc2)CC2CCCC1N2Cc1ccccc1
InChIInChI=1S/C27H27N/c1-3-10-21(11-4-1)20-28-24-14-9-15-25(28)19-23(18-24)27-17-8-7-16-26(27)22-12-5-2-6-13-22/h1-8,10-13,16-18,24-25H,9,14-15,19-20H2
InChIKeyHPMZKNKAMLOQGQ-UHFFFAOYSA-N
XLogP6.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-benzyl-3-(4-chloro-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971662
[3-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]methanol
CID 171971550
9-benzyl-3-(2-ethoxyphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971041
9-benzyl-3-(2-chloro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971661
9-benzyl-3-(4-bromothiophen-3-yl)-9-azabicyclo[3.3.1]non-2-ene
CID 171973242
9-benzyl-3-(2,6-difluoro-3-pyridinyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971818
9-benzyl-3-(4-methoxy-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971039
9-benzyl-3-(3,4-difluoro-2-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971182
5-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)-2-chlorobenzoic acid
CID 171969656
1-[4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)phenyl]ethanone
CID 171971045
4-(9-benzyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzamide
CID 171971254
9-benzyl-3-(3-fluoro-5-methylphenyl)-9-azabicyclo[3.3.1]non-2-ene
CID 171971649

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The IUPAC name of 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene (CID 171968666) is 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene.
What is the SMILES notation for 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The canonical SMILES for 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene is C1=C(c2ccccc2-c2ccccc2)CC2CCCC1N2Cc1ccccc1.
What is the InChIKey of 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
The InChIKey is HPMZKNKAMLOQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N/c1-3-10-21(11-4-1)20-28-24-14-9-15-25(28)19-23(18-24)27-17-8-7-16-26(27)22-12-5-2-6-13-22/h1-8,10-13,16-18,24-25H,9,14-15,19-20H2.
What are the key properties of 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene?
9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene has a molecular weight of 365.52 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-3-(2-phenylphenyl)-9-azabicyclo[3.3.1]non-2-ene is sourced from PubChem (CID 171968666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).