3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one

C26H17BrN2O — CID 23959003

IUPAC3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one
SMILESO=c1c2ccccc2cc/c(=N\c2ccc(Br)cc2)n1-c1ccc2ccccc2c1
InChIInChI=1S/C26H17BrN2O/c27-21-11-13-22(14-12-21)28-25-16-10-19-6-3-4-8-24(19)26(30)29(25)23-15-9-18-5-1-2-7-20(18)17-23/h1-17H/b28-25+
InChIKeyWTWKMZUNYPMDDM-AZPGRJICSA-N
MW453.34 g/mol
LogP6.14
Rot. Bonds2

About 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one

3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one (PubChem CID 23959003) has the molecular formula C26H17BrN2O and a molecular weight of 453.34 g/mol. Its IUPAC name is 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one.

Molecular Properties

Compound Name3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one
PubChem CID23959003
Molecular FormulaC26H17BrN2O
Molecular Weight453.34 g/mol
Exact Mass452.05
IUPAC Name3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one
SMILESO=c1c2ccccc2cc/c(=N\c2ccc(Br)cc2)n1-c1ccc2ccccc2c1
InChIInChI=1S/C26H17BrN2O/c27-21-11-13-22(14-12-21)28-25-16-10-19-6-3-4-8-24(19)26(30)29(25)23-15-9-18-5-1-2-7-20(18)17-23/h1-17H/b28-25+
InChIKeyWTWKMZUNYPMDDM-AZPGRJICSA-N
XLogP6.14
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.34
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(4-bromophenyl)isoquinolin-1-one
CID 43341002
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
CID 2177103
2,6-dibromo-9-naphthalen-2-ylcarbazole
CID 126674108
2-(2-methylpropylsulfanyl)-3-naphthalen-2-ylquinazolin-4-one
CID 10570525
2-[(4-bromophenyl)diazenyl]naphthalen-1-ol
CID 3802677
2-bromonaphthalene
CID 50940586
3-naphthalen-2-yl-2-thiophen-2-ylquinazolin-4-one
CID 1116973
9H-carbazole;3,6-dibromo-9-naphthalen-2-ylcarbazole;3,6-di(carbazol-9-yl)-9-naphthalen-2-ylcarbazole
CID 161042085
3-bromo-N-butyl-N-[1-(3-naphthalen-2-yl-4-oxoquinazolin-2-yl)ethyl]benzamide
CID 4652716
2,3-bis(4-bromophenyl)quinazolin-4-one
CID 3707353
9-[6-bromo-7-(3-bromo-6-carbazol-9-ylnaphthalen-2-yl)naphthalen-2-yl]carbazole
CID 166033097
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one?
The IUPAC name of 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one (CID 23959003) is 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one.
What is the SMILES notation for 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one?
The canonical SMILES for 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one is O=c1c2ccccc2cc/c(=N\c2ccc(Br)cc2)n1-c1ccc2ccccc2c1.
What is the InChIKey of 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one?
The InChIKey is WTWKMZUNYPMDDM-AZPGRJICSA-N. The full InChI is InChI=1S/C26H17BrN2O/c27-21-11-13-22(14-12-21)28-25-16-10-19-6-3-4-8-24(19)26(30)29(25)23-15-9-18-5-1-2-7-20(18)17-23/h1-17H/b28-25+.
What are the key properties of 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one?
3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one has a molecular weight of 453.34 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)imino-2-naphthalen-2-yl-2-benzazepin-1-one is sourced from PubChem (CID 23959003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).