(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone

C27H22O — CID 175461017

IUPAC(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(-c3ccccc3-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C27H22O/c1-19-7-11-21(12-8-19)25-5-3-4-6-26(25)22-15-17-24(18-16-22)27(28)23-13-9-20(2)10-14-23/h3-18H,1-2H3
InChIKeyXPHBLFPGIKLVIZ-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.87
Rot. Bonds4

About (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone

(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone (PubChem CID 175461017) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
PubChem CID175461017
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
SMILESCc1ccc(C(=O)c2ccc(-c3ccccc3-c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C27H22O/c1-19-7-11-21(12-8-19)25-5-3-4-6-26(25)22-15-17-24(18-16-22)27(28)23-13-9-20(2)10-14-23/h3-18H,1-2H3
InChIKeyXPHBLFPGIKLVIZ-UHFFFAOYSA-N
XLogP6.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

Anthraquinone
CID 6780
9,10-Phenanthrenedione
CID 6763
Anthrone
CID 7018
Benzanthrone
CID 6697
2-Acetylnaphthalene
CID 7122
Miltirone
CID 160142
2-Ethylanthraquinone
CID 6772
2-Methylanthraquinone
CID 6773
2,4-Dimethylacetophenone
CID 6985
Phenalenone
CID 11050
2,4,6-Trimethylbenzoyl diphenylphosphine oxide
CID 166480
1-Acetylnaphthalene
CID 13663

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone?
The IUPAC name of (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone (CID 175461017) is (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone.
What is the SMILES notation for (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone?
The canonical SMILES for (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone is Cc1ccc(C(=O)c2ccc(-c3ccccc3-c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone?
The InChIKey is XPHBLFPGIKLVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c1-19-7-11-21(12-8-19)25-5-3-4-6-26(25)22-15-17-24(18-16-22)27(28)23-13-9-20(2)10-14-23/h3-18H,1-2H3.
What are the key properties of (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone?
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone has a molecular weight of 362.47 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone is sourced from PubChem (CID 175461017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).