3,4,9-triphenyl-1H-2-benzazepine

C28H21N — CID 86185792

IUPAC3,4,9-triphenyl-1H-2-benzazepine
SMILESC1=C(c2ccccc2)C(c2ccccc2)=NCc2c1cccc2-c1ccccc1
InChIInChI=1S/C28H21N/c1-4-11-21(12-5-1)25-18-10-17-24-19-26(22-13-6-2-7-14-22)28(29-20-27(24)25)23-15-8-3-9-16-23/h1-19H,20H2
InChIKeyYZCPEMZGCYKEQN-UHFFFAOYSA-N
MW371.48 g/mol
LogP6.90
Rot. Bonds3

About 3,4,9-triphenyl-1H-2-benzazepine

3,4,9-triphenyl-1H-2-benzazepine (PubChem CID 86185792) has the molecular formula C28H21N and a molecular weight of 371.48 g/mol. Its IUPAC name is 3,4,9-triphenyl-1H-2-benzazepine.

Molecular Properties

Compound Name3,4,9-triphenyl-1H-2-benzazepine
PubChem CID86185792
Molecular FormulaC28H21N
Molecular Weight371.48 g/mol
Exact Mass371.17
IUPAC Name3,4,9-triphenyl-1H-2-benzazepine
SMILESC1=C(c2ccccc2)C(c2ccccc2)=NCc2c1cccc2-c1ccccc1
InChIInChI=1S/C28H21N/c1-4-11-21(12-5-1)25-18-10-17-24-19-26(22-13-6-2-7-14-22)28(29-20-27(24)25)23-15-8-3-9-16-23/h1-19H,20H2
InChIKeyYZCPEMZGCYKEQN-UHFFFAOYSA-N
XLogP6.90
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-Benzyl-3,4-dihydroisoquinoline hydrochloride
CID 45048805
N-(4-Phenylbenzylidene)benzylamine
CID 4149947
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
Benzenemethanamine,N'-(1,1'-biphenyl]-2,2'-diyldimethylidyne)bis-
CID 424649
(E)-N-(naphthalen-1-ylmethyl)-3-phenylprop-2-en-1-imine
CID 44457596
Benzenemethanamine, N-(diphenylmethylene)-alpha-phenyl-
CID 219139
Benzylamine, N-(diphenylmethylene)-
CID 290996
1-Methyl-8-phenyl-3,4-dihydroisoquinoline
CID 32411
7-Methyl-1-phenyl-3,4-dihydroisoquinoline;hydrochloride
CID 90672430
4-[3,5-bis(trifluoromethyl)phenyl]-7-phenyl-5H-benzo[d][2]benzazepine
CID 85614095
3-fluoro-5,8-diphenyl-7H-benzo[d][2]benzazepine
CID 85614099
5,8-diphenyl-3-(trifluoromethyl)-7H-benzo[d][2]benzazepine
CID 85614111

Frequently Asked Questions

What is the IUPAC name of 3,4,9-triphenyl-1H-2-benzazepine?
The IUPAC name of 3,4,9-triphenyl-1H-2-benzazepine (CID 86185792) is 3,4,9-triphenyl-1H-2-benzazepine.
What is the SMILES notation for 3,4,9-triphenyl-1H-2-benzazepine?
The canonical SMILES for 3,4,9-triphenyl-1H-2-benzazepine is C1=C(c2ccccc2)C(c2ccccc2)=NCc2c1cccc2-c1ccccc1.
What is the InChIKey of 3,4,9-triphenyl-1H-2-benzazepine?
The InChIKey is YZCPEMZGCYKEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N/c1-4-11-21(12-5-1)25-18-10-17-24-19-26(22-13-6-2-7-14-22)28(29-20-27(24)25)23-15-8-3-9-16-23/h1-19H,20H2.
What are the key properties of 3,4,9-triphenyl-1H-2-benzazepine?
3,4,9-triphenyl-1H-2-benzazepine has a molecular weight of 371.48 g/mol, XLogP of 6.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,9-triphenyl-1H-2-benzazepine is sourced from PubChem (CID 86185792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).