2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline

C26H20N2 — CID 144914775

IUPAC2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline
SMILESNc1ccccc1-c1cccc2c1C=Cc1ccccc1N2c1ccccc1
InChIInChI=1S/C26H20N2/c27-24-14-6-5-12-22(24)21-13-8-16-26-23(21)18-17-19-9-4-7-15-25(19)28(26)20-10-2-1-3-11-20/h1-18H,27H2
InChIKeyUQYJQCOAVPXKOP-UHFFFAOYSA-N
MW360.46 g/mol
LogP6.89
Rot. Bonds2

About 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline

2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline (PubChem CID 144914775) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline.

Molecular Properties

Compound Name2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline
PubChem CID144914775
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline
SMILESNc1ccccc1-c1cccc2c1C=Cc1ccccc1N2c1ccccc1
InChIInChI=1S/C26H20N2/c27-24-14-6-5-12-22(24)21-13-8-16-26-23(21)18-17-19-9-4-7-15-25(19)28(26)20-10-2-1-3-11-20/h1-18H,27H2
InChIKeyUQYJQCOAVPXKOP-UHFFFAOYSA-N
XLogP6.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

11-phenylbenzo[b][1]benzazepine
CID 11514559
4-(11H-benzo[b][1]benzazepin-3-yl)-11-phenylbenzo[b][1]benzazepine
CID 118331784
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
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
(3-benzo[b][1]benzazepin-11-ylphenyl)methanol
CID 139983919
11-[4-[4-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)phenyl]phenyl]benzo[b][1]benzazepine
CID 100915206
11-[4-[5-(4-benzo[b][1]benzazepin-11-ylphenyl)benzo[c]phenanthren-8-yl]phenyl]benzo[b][1]benzazepine
CID 59282155
2-[2-(2-aminophenyl)phenyl]aniline;4-[4-(4-aminophenyl)phenyl]aniline
CID 161385819
5-benzo[b][1]benzazepin-11-yl-1,3,4-oxadiazol-2-amine
CID 110168823
3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-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 118362635

Frequently Asked Questions

What is the IUPAC name of 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline?
The IUPAC name of 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline (CID 144914775) is 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline.
What is the SMILES notation for 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline?
The canonical SMILES for 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline is Nc1ccccc1-c1cccc2c1C=Cc1ccccc1N2c1ccccc1.
What is the InChIKey of 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline?
The InChIKey is UQYJQCOAVPXKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c27-24-14-6-5-12-22(24)21-13-8-16-26-23(21)18-17-19-9-4-7-15-25(19)28(26)20-10-2-1-3-11-20/h1-18H,27H2.
What are the key properties of 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline?
2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline has a molecular weight of 360.46 g/mol, XLogP of 6.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(11-phenylbenzo[b][1]benzazepin-4-yl)aniline is sourced from PubChem (CID 144914775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).