2,7-diphenyl-3H-azepine

C18H15N — CID 11053925

IUPAC2,7-diphenyl-3H-azepine
SMILESC1=CCC(c2ccccc2)=NC(c2ccccc2)=C1
InChIInChI=1S/C18H15N/c1-3-9-15(10-4-1)17-13-7-8-14-18(19-17)16-11-5-2-6-12-16/h1-13H,14H2
InChIKeyFMWXMSKRJIIWLA-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.48
Rot. Bonds2

About 2,7-diphenyl-3H-azepine

2,7-diphenyl-3H-azepine (PubChem CID 11053925) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 2,7-diphenyl-3H-azepine.

Molecular Properties

Compound Name2,7-diphenyl-3H-azepine
PubChem CID11053925
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name2,7-diphenyl-3H-azepine
SMILESC1=CCC(c2ccccc2)=NC(c2ccccc2)=C1
InChIInChI=1S/C18H15N/c1-3-9-15(10-4-1)17-13-7-8-14-18(19-17)16-11-5-2-6-12-16/h1-13H,14H2
InChIKeyFMWXMSKRJIIWLA-UHFFFAOYSA-N
XLogP4.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(Diphenylmethylene)aniline
CID 219140
N,1-diphenylethan-1-imine
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6,7-Diphenyldibenzo(E,G)(1,4)diazocine
CID 258179
N-(1-Methyl-3-phenyl-2-propenylidene)aniline
CID 5382915
2,3-Diphenyl-2H-azirine
CID 140090
2,5-diphenyl-3,4-dihydro-2H-pyrrole
CID 279812
Benzylamine, N-(diphenylmethylene)-
CID 290996
2,3-Dichloro-6,12-diphenyl-dibenzo(b,f)(1,5)diazocine
CID 5359911
N-[1-(4-Fluorophenyl)ethylidene]benzenamine
CID 11241334
Benzenamine, 4-fluoro-N-(1-phenylethylidene)-
CID 11310403
N-phenylbenzimidoyl fluoride
CID 13213151
N-benzyl-1-(4-fluorophenyl)ethanimine
CID 86149422

Frequently Asked Questions

What is the IUPAC name of 2,7-diphenyl-3H-azepine?
The IUPAC name of 2,7-diphenyl-3H-azepine (CID 11053925) is 2,7-diphenyl-3H-azepine.
What is the SMILES notation for 2,7-diphenyl-3H-azepine?
The canonical SMILES for 2,7-diphenyl-3H-azepine is C1=CCC(c2ccccc2)=NC(c2ccccc2)=C1.
What is the InChIKey of 2,7-diphenyl-3H-azepine?
The InChIKey is FMWXMSKRJIIWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-3-9-15(10-4-1)17-13-7-8-14-18(19-17)16-11-5-2-6-12-16/h1-13H,14H2.
What are the key properties of 2,7-diphenyl-3H-azepine?
2,7-diphenyl-3H-azepine has a molecular weight of 245.33 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diphenyl-3H-azepine is sourced from PubChem (CID 11053925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).