(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone

C32H24O — CID 13495520

IUPAC(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H24O/c1-23-30(26-18-10-4-11-19-26)28(24-14-6-2-7-15-24)22-29(25-16-8-3-9-17-25)31(23)32(33)27-20-12-5-13-21-27/h2-22H,1H3
InChIKeyVDSXAPBMZPZXIW-UHFFFAOYSA-N
MW424.54 g/mol
LogP8.23
Rot. Bonds5

About (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone

(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone (PubChem CID 13495520) has the molecular formula C32H24O and a molecular weight of 424.54 g/mol. Its IUPAC name is (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
PubChem CID13495520
Molecular FormulaC32H24O
Molecular Weight424.54 g/mol
Exact Mass424.18
IUPAC Name(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone
SMILESCc1c(C(=O)c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C32H24O/c1-23-30(26-18-10-4-11-19-26)28(24-14-6-2-7-15-24)22-29(25-16-8-3-9-17-25)31(23)32(33)27-20-12-5-13-21-27/h2-22H,1H3
InChIKeyVDSXAPBMZPZXIW-UHFFFAOYSA-N
XLogP8.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 58.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
[2-amino-6-(4-methylphenyl)-4-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-phenylmethanone
CID 10006428
[2-amino-6-(4-methylphenyl)-3-(4-nitrophenyl)-4-phenylphenyl]-phenylmethanone
CID 10939825
[2-methyl-6-(4-methylphenyl)-4-phenylphenyl]-phenylmethanone
CID 2825389
[2-amino-4-(4-methylphenyl)-6-phenyl-3-[4-(trifluoromethyl)phenyl]phenyl]-(4-methylphenyl)methanone
CID 10459372
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
2-oxo-2-(2,3,4,6-tetraphenylphenyl)acetaldehyde
CID 88820261
5-methyl-6-phenylbenzene-1,2,3,4-tetracarboxylic acid
CID 175443870
2-methyl-3,4-diphenylbenzoic acid
CID 118554966
phenyl-(2,4,5-triphenyl-3-pyridinyl)methanone
CID 122372233
ethyl 4-benzoyl-3,5-diphenyl-1H-pyrrole-2-carboxylate
CID 146163429
[2-benzoyl-3-(diethylamino)-4-methyl-5,6-diphenylphenyl]-phenylmethanone
CID 12582238

Frequently Asked Questions

What is the IUPAC name of (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone?
The IUPAC name of (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone (CID 13495520) is (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone.
What is the SMILES notation for (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone?
The canonical SMILES for (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone is Cc1c(C(=O)c2ccccc2)c(-c2ccccc2)cc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone?
The InChIKey is VDSXAPBMZPZXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24O/c1-23-30(26-18-10-4-11-19-26)28(24-14-6-2-7-15-24)22-29(25-16-8-3-9-17-25)31(23)32(33)27-20-12-5-13-21-27/h2-22H,1H3.
What are the key properties of (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone?
(2-methyl-3,4,6-triphenylphenyl)-phenylmethanone has a molecular weight of 424.54 g/mol, XLogP of 8.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3,4,6-triphenylphenyl)-phenylmethanone is sourced from PubChem (CID 13495520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).