(3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone

C28H21NO — CID 10385547

IUPAC(3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=NC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C28H21NO/c1-20-16-18-21(19-17-20)27(30)26-24-14-8-9-15-25(24)28(29-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3
InChIKeySHJIKNUUVUNTHU-UHFFFAOYSA-N
MW387.48 g/mol
LogP5.97
Rot. Bonds4

About (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone

(3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone (PubChem CID 10385547) has the molecular formula C28H21NO and a molecular weight of 387.48 g/mol. Its IUPAC name is (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone
PubChem CID10385547
Molecular FormulaC28H21NO
Molecular Weight387.48 g/mol
Exact Mass387.16
IUPAC Name(3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)C2=NC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C28H21NO/c1-20-16-18-21(19-17-20)27(30)26-24-14-8-9-15-25(24)28(29-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3
InChIKeySHJIKNUUVUNTHU-UHFFFAOYSA-N
XLogP5.97
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone 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 (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone?
The IUPAC name of (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone (CID 10385547) is (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)C2=NC(c3ccccc3)(c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone?
The InChIKey is SHJIKNUUVUNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21NO/c1-20-16-18-21(19-17-20)27(30)26-24-14-8-9-15-25(24)28(29-26,22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-19H,1H3.
What are the key properties of (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone?
(3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone has a molecular weight of 387.48 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-diphenylisoindol-1-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 10385547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).