11-phenylbenzo[b][1]benzazepine

C20H15N — CID 11514559

IUPAC11-phenylbenzo[b][1]benzazepine
SMILESC1=Cc2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15N/c1-2-10-18(11-3-1)21-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-15H
InChIKeyOMQBGCCUCOETRR-UHFFFAOYSA-N
MW269.35 g/mol
LogP5.64
Rot. Bonds1

About 11-phenylbenzo[b][1]benzazepine

11-phenylbenzo[b][1]benzazepine (PubChem CID 11514559) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 11-phenylbenzo[b][1]benzazepine.

Molecular Properties

Compound Name11-phenylbenzo[b][1]benzazepine
PubChem CID11514559
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name11-phenylbenzo[b][1]benzazepine
SMILESC1=Cc2ccccc2N(c2ccccc2)c2ccccc21
InChIInChI=1S/C20H15N/c1-2-10-18(11-3-1)21-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-15H
InChIKeyOMQBGCCUCOETRR-UHFFFAOYSA-N
XLogP5.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.35
LogP ≤ 55.64
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

2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline
CID 144914775
11-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]phenyl]benzo[b][1]benzazepine
CID 100915206
(3-benzo[b][1]benzazepin-11-ylphenyl)methanol
CID 139983919
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-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
2-(2-nitrophenyl)-11-phenylbenzo[b][1]benzazepine
CID 118362648
11-[4-[5-(4-benzo[b][1]benzazepin-11-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]benzo[b][1]benzazepine
CID 59282155
11-[4-[4-[(2E,3Z)-2,3-di(ethylidene)-1-benzazepin-1-yl]phenyl]phenyl]benzo[b][1]benzazepine;ethane
CID 144775354
4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine
CID 118331784
11-[4-[10-(4-benzo[b][1]benzazepin-11-ylphenyl)-2-tert-butylanthracen-9-yl]phenyl]benzo[b][1]benzazepine
CID 121444414
5,5-dimethyl-10-phenylphenothiazine
CID 130452501
2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
CID 122432558

Frequently Asked Questions

What is the IUPAC name of 11-phenylbenzo[b][1]benzazepine?
The IUPAC name of 11-phenylbenzo[b][1]benzazepine (CID 11514559) is 11-phenylbenzo[b][1]benzazepine.
What is the SMILES notation for 11-phenylbenzo[b][1]benzazepine?
The canonical SMILES for 11-phenylbenzo[b][1]benzazepine is C1=Cc2ccccc2N(c2ccccc2)c2ccccc21.
What is the InChIKey of 11-phenylbenzo[b][1]benzazepine?
The InChIKey is OMQBGCCUCOETRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-2-10-18(11-3-1)21-19-12-6-4-8-16(19)14-15-17-9-5-7-13-20(17)21/h1-15H.
What are the key properties of 11-phenylbenzo[b][1]benzazepine?
11-phenylbenzo[b][1]benzazepine has a molecular weight of 269.35 g/mol, XLogP of 5.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-phenylbenzo[b][1]benzazepine is sourced from PubChem (CID 11514559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).