7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one

C37H27NO — CID 138979063

IUPAC7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one
SMILESO=C1N(Cc2ccccc2)c2ccc3ccccc3c2-c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H27NO/c39-36-37(29-17-6-2-7-18-29,30-19-8-3-9-20-30)33-23-13-12-22-32(33)35-31-21-11-10-16-28(31)24-25-34(35)38(36)26-27-14-4-1-5-15-27/h1-25H,26H2
InChIKeyIPHWTRLKWZNLOA-UHFFFAOYSA-N
MW501.63 g/mol
LogP8.39
Rot. Bonds4

About 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one

7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one (PubChem CID 138979063) has the molecular formula C37H27NO and a molecular weight of 501.63 g/mol. Its IUPAC name is 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one.

Molecular Properties

Compound Name7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one
PubChem CID138979063
Molecular FormulaC37H27NO
Molecular Weight501.63 g/mol
Exact Mass501.21
IUPAC Name7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one
SMILESO=C1N(Cc2ccccc2)c2ccc3ccccc3c2-c2ccccc2C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H27NO/c39-36-37(29-17-6-2-7-18-29,30-19-8-3-9-20-30)33-23-13-12-22-32(33)35-31-21-11-10-16-28(31)24-25-34(35)38(36)26-27-14-4-1-5-15-27/h1-25H,26H2
InChIKeyIPHWTRLKWZNLOA-UHFFFAOYSA-N
XLogP8.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.63
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one?
The IUPAC name of 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one (CID 138979063) is 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one.
What is the SMILES notation for 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one?
The canonical SMILES for 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one is O=C1N(Cc2ccccc2)c2ccc3ccccc3c2-c2ccccc2C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one?
The InChIKey is IPHWTRLKWZNLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO/c39-36-37(29-17-6-2-7-18-29,30-19-8-3-9-20-30)33-23-13-12-22-32(33)35-31-21-11-10-16-28(31)24-25-34(35)38(36)26-27-14-4-1-5-15-27/h1-25H,26H2.
What are the key properties of 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one?
7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one has a molecular weight of 501.63 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-9,9-diphenylnaphtho[2,1-d][3]benzazepin-8-one is sourced from PubChem (CID 138979063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).