(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone

C28H23NO2 — CID 10431398

IUPAC(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone
SMILESCOc1ccc(C(=O)N2Cc3ccccc3C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C28H23NO2/c1-31-23-17-15-21(16-18-23)28(30)29-19-22-11-5-6-12-24(22)27(20-9-3-2-4-10-20)25-13-7-8-14-26(25)29/h2-18,27H,19H2,1H3
InChIKeyAUMIQZZBRDKOLO-UHFFFAOYSA-N
MW405.50 g/mol
LogP6.04
Rot. Bonds3

About (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone

(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone (PubChem CID 10431398) has the molecular formula C28H23NO2 and a molecular weight of 405.50 g/mol. Its IUPAC name is (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone
PubChem CID10431398
Molecular FormulaC28H23NO2
Molecular Weight405.50 g/mol
Exact Mass405.17
IUPAC Name(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone
SMILESCOc1ccc(C(=O)N2Cc3ccccc3C(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C28H23NO2/c1-31-23-17-15-21(16-18-23)28(30)29-19-22-11-5-6-12-24(22)27(20-9-3-2-4-10-20)25-13-7-8-14-26(25)29/h2-18,27H,19H2,1H3
InChIKeyAUMIQZZBRDKOLO-UHFFFAOYSA-N
XLogP6.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-methoxybenzoyl)-2,3-dihydroindole-3-carboxylic acid
CID 124609676
[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-methoxyphenyl)methanone;[11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepin-5-yl]-(4-nitrophenyl)methanone;11-(2-chlorophenyl)-5-methyl-6,11-dihydrobenzo[c][1]benzazepine;phenyl 11-(2-chlorophenyl)-6,11-dihydrobenzo[c][1]benzazepine-5-carboxylate
CID 162115886
(4-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 110709476
(4-methoxyphenyl)-(1-methyl-4,10-dihydropyrrolo[3,2-c][1]benzazepin-5-yl)methanone
CID 157214095
4-(4-methoxybenzoyl)-1-methyl-3H-quinoxalin-2-one
CID 110669554
(4-methoxyphenyl)-(2-sulfanylidene-1,4-dihydroquinazolin-3-yl)methanone
CID 678601
1-(4-methoxybenzoyl)-4-phenylpyrrolidin-2-one
CID 3537198
[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-(4-methoxyphenyl)methanone
CID 1102966
(4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
CID 585634
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
ethyl (3R,4S)-1-(4-methoxybenzoyl)-2-oxo-4-phenylpyrrolidine-3-carboxylate
CID 1379104
1-(4-methoxybenzoyl)-4-oxo-2,3-dihydroquinoline-2-carbonitrile
CID 10425250

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone?
The IUPAC name of (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone (CID 10431398) is (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone.
What is the SMILES notation for (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone?
The canonical SMILES for (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone is COc1ccc(C(=O)N2Cc3ccccc3C(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone?
The InChIKey is AUMIQZZBRDKOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23NO2/c1-31-23-17-15-21(16-18-23)28(30)29-19-22-11-5-6-12-24(22)27(20-9-3-2-4-10-20)25-13-7-8-14-26(25)29/h2-18,27H,19H2,1H3.
What are the key properties of (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone?
(4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone has a molecular weight of 405.50 g/mol, XLogP of 6.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-(11-phenyl-6,11-dihydrobenzo[c][1]benzazepin-5-yl)methanone is sourced from PubChem (CID 10431398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).