1,2-diphenylazepine

C18H15N — CID 67265210

IUPAC1,2-diphenylazepine
SMILESC1=CC=C(c2ccccc2)N(c2ccccc2)C=C1
InChIInChI=1S/C18H15N/c1-4-10-16(11-5-1)18-14-8-3-9-15-19(18)17-12-6-2-7-13-17/h1-15H
InChIKeyKQDPOMTVWOKOES-UHFFFAOYSA-N
MW245.33 g/mol
LogP4.62
Rot. Bonds2

About 1,2-diphenylazepine

1,2-diphenylazepine (PubChem CID 67265210) has the molecular formula C18H15N and a molecular weight of 245.33 g/mol. Its IUPAC name is 1,2-diphenylazepine.

Molecular Properties

Compound Name1,2-diphenylazepine
PubChem CID67265210
Molecular FormulaC18H15N
Molecular Weight245.33 g/mol
Exact Mass245.12
IUPAC Name1,2-diphenylazepine
SMILESC1=CC=C(c2ccccc2)N(c2ccccc2)C=C1
InChIInChI=1S/C18H15N/c1-4-10-16(11-5-1)18-14-8-3-9-15-19(18)17-12-6-2-7-13-17/h1-15H
InChIKeyKQDPOMTVWOKOES-UHFFFAOYSA-N
XLogP4.62
TPSA3.24 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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylazepine?
The IUPAC name of 1,2-diphenylazepine (CID 67265210) is 1,2-diphenylazepine.
What is the SMILES notation for 1,2-diphenylazepine?
The canonical SMILES for 1,2-diphenylazepine is C1=CC=C(c2ccccc2)N(c2ccccc2)C=C1.
What is the InChIKey of 1,2-diphenylazepine?
The InChIKey is KQDPOMTVWOKOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N/c1-4-10-16(11-5-1)18-14-8-3-9-15-19(18)17-12-6-2-7-13-17/h1-15H.
What are the key properties of 1,2-diphenylazepine?
1,2-diphenylazepine has a molecular weight of 245.33 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylazepine is sourced from PubChem (CID 67265210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).