4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine

C34H24N2 — CID 118331784

IUPAC4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine
SMILESC1=Cc2cc(-c3cccc4c3C=Cc3ccccc3N4c3ccccc3)ccc2Nc2ccccc21
InChIInChI=1S/C34H24N2/c1-2-11-28(12-3-1)36-33-15-7-5-10-25(33)19-21-30-29(13-8-16-34(30)36)26-20-22-32-27(23-26)18-17-24-9-4-6-14-31(24)35-32/h1-23,35H
InChIKeyKNIQCWDSXWTBEK-UHFFFAOYSA-N
MW460.58 g/mol
LogP9.53
Rot. Bonds2

About 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine

4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine (PubChem CID 118331784) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine.

Molecular Properties

Compound Name4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine
PubChem CID118331784
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine
SMILESC1=Cc2cc(-c3cccc4c3C=Cc3ccccc3N4c3ccccc3)ccc2Nc2ccccc21
InChIInChI=1S/C34H24N2/c1-2-11-28(12-3-1)36-33-15-7-5-10-25(33)19-21-30-29(13-8-16-34(30)36)26-20-22-32-27(23-26)18-17-24-9-4-6-14-31(24)35-32/h1-23,35H
InChIKeyKNIQCWDSXWTBEK-UHFFFAOYSA-N
XLogP9.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 59.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline
CID 144914775
11-phenylbenzo[b][1]benzazepine
CID 11514559
2,8-bis(9H-carbazol-1-yl)-10-phenyl-5H-phenazine
CID 141471405
2-(2-nitrophenyl)-11-phenylbenzo[b][1]benzazepine
CID 118362648
7-[3-[4-(1,5-dimethyl-4,6-diphenyl-1,3,5-triazinan-2-yl)phenyl]phenyl]-14-phenyl-9-oxa-14-azapentacyclo[11.9.0.02,10.03,8.015,20]docosa-1(13),2(10),3(8),4,6,11,15,17,19,21-decaene
CID 129310585
11-[4-[5-(4-benzo[b][1]benzazepin-11-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]benzo[b][1]benzazepine
CID 59282155
3-methyl-14-phenyl-3,14-diazapentacyclo[11.9.0.02,10.04,9.015,20]docosa-1(13),2(10),4,6,8,11,15,17,19,21-decaene
CID 145449554
14-phenyl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene
CID 59838794
(3-benzo[b][1]benzazepin-11-ylphenyl)methanol
CID 139983919
14-phenyl-4-triphenylen-1-yl-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2(7),3,5,8,10,12,15,17-nonaene
CID 121400651
5-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-10-phenylphenazine
CID 153293260
11-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]phenyl]benzo[b][1]benzazepine
CID 100915206

Frequently Asked Questions

What is the IUPAC name of 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine?
The IUPAC name of 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine (CID 118331784) is 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine.
What is the SMILES notation for 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine?
The canonical SMILES for 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine is C1=Cc2cc(-c3cccc4c3C=Cc3ccccc3N4c3ccccc3)ccc2Nc2ccccc21.
What is the InChIKey of 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine?
The InChIKey is KNIQCWDSXWTBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-2-11-28(12-3-1)36-33-15-7-5-10-25(33)19-21-30-29(13-8-16-34(30)36)26-20-22-32-27(23-26)18-17-24-9-4-6-14-31(24)35-32/h1-23,35H.
What are the key properties of 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine?
4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine has a molecular weight of 460.58 g/mol, XLogP of 9.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine is sourced from PubChem (CID 118331784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).