bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone

C39H30O — CID 151132531

IUPACbis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
SMILESCc1c(C(=O)c2cccc(-c3ccc(-c4ccccc4)cc3)c2C)cccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C39H30O/c1-27-35(33-23-19-31(20-24-33)29-11-5-3-6-12-29)15-9-17-37(27)39(40)38-18-10-16-36(28(38)2)34-25-21-32(22-26-34)30-13-7-4-8-14-30/h3-26H,1-2H3
InChIKeyMUNIJXMRXVNGTF-UHFFFAOYSA-N
MW514.67 g/mol
LogP10.20
Rot. Bonds6

About bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone

bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone (PubChem CID 151132531) has the molecular formula C39H30O and a molecular weight of 514.67 g/mol. Its IUPAC name is bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone.

Molecular Properties

Compound Namebis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
PubChem CID151132531
Molecular FormulaC39H30O
Molecular Weight514.67 g/mol
Exact Mass514.23
IUPAC Namebis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
SMILESCc1c(C(=O)c2cccc(-c3ccc(-c4ccccc4)cc3)c2C)cccc1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C39H30O/c1-27-35(33-23-19-31(20-24-33)29-11-5-3-6-12-29)15-9-17-37(27)39(40)38-18-10-16-36(28(38)2)34-25-21-32(22-26-34)30-13-7-4-8-14-30/h3-26H,1-2H3
InChIKeyMUNIJXMRXVNGTF-UHFFFAOYSA-N
XLogP10.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.67
LogP ≤ 510.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-hydroxy-2-methyl-3-phenylbenzamide
CID 54333518
2,2-dichloro-1-(2-methyl-3-phenylphenyl)ethanone
CID 146007388
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
2-methyl-3-phenylbenzamide;2,2,2-trifluoroacetic acid
CID 67159928
2,2-dimethyl-1-(2-methyl-3-phenylphenyl)butan-1-one
CID 146007407
[2-methyl-3-(4-methylphenyl)benzoyl] 2-methyl-3-(4-methylphenyl)benzenecarboperoxoate
CID 155660856
[2-(2-methyl-3-phenylphenyl)-2-oxoethyl] acetate
CID 146007393
3-(4-carbamoylphenyl)-2-methylbenzamide
CID 142234792
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
CID 171716642
3-(3-hydroxyphenyl)-2-methylbenzoic acid
CID 53224960

Frequently Asked Questions

What is the IUPAC name of bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone?
The IUPAC name of bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone (CID 151132531) is bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone.
What is the SMILES notation for bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone?
The canonical SMILES for bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone is Cc1c(C(=O)c2cccc(-c3ccc(-c4ccccc4)cc3)c2C)cccc1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone?
The InChIKey is MUNIJXMRXVNGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30O/c1-27-35(33-23-19-31(20-24-33)29-11-5-3-6-12-29)15-9-17-37(27)39(40)38-18-10-16-36(28(38)2)34-25-21-32(22-26-34)30-13-7-4-8-14-30/h3-26H,1-2H3.
What are the key properties of bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone?
bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone has a molecular weight of 514.67 g/mol, XLogP of 10.20, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone is sourced from PubChem (CID 151132531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).