1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene

C31H24 — CID 140710828

IUPAC1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
SMILESCc1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C31H24/c1-23-19-28(25-13-7-3-8-14-25)21-29(20-23)30-18-17-27(24-11-5-2-6-12-24)22-31(30)26-15-9-4-10-16-26/h2-22H,1H3
InChIKeySMMBPVCBFCIZHB-UHFFFAOYSA-N
MW396.53 g/mol
LogP8.66
Rot. Bonds4

About 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene

1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene (PubChem CID 140710828) has the molecular formula C31H24 and a molecular weight of 396.53 g/mol. Its IUPAC name is 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene.

Molecular Properties

Compound Name1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
PubChem CID140710828
Molecular FormulaC31H24
Molecular Weight396.53 g/mol
Exact Mass396.19
IUPAC Name1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
SMILESCc1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)c1
InChIInChI=1S/C31H24/c1-23-19-28(25-13-7-3-8-14-25)21-29(20-23)30-18-17-27(24-11-5-2-6-12-24)22-31(30)26-15-9-4-10-16-26/h2-22H,1H3
InChIKeySMMBPVCBFCIZHB-UHFFFAOYSA-N
XLogP8.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.53
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
CID 159368011
1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
CID 59552818
1-phenyl-3-(3-phenylphenyl)-5-[2-phenyl-5-(3-phenylphenyl)phenyl]benzene
CID 143438062
1,2,4-triphenylbenzene;1,3,5-triphenylbenzene
CID 162004033
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
1-methyl-3-[4-[3-(4-methylphenyl)-5-phenylphenyl]phenyl]-5-phenylbenzene
CID 58892417
1-(3,5-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 123422549
1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-3-[2-(2-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(3-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(2-phenylphenyl)phenyl]benzene
CID 161087634
1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene
CID 161146851
2-(4-phenylphenyl)bicyclo[2.2.0]hexa-1,3,5-triene
CID 174878589

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene?
The IUPAC name of 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene (CID 140710828) is 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene.
What is the SMILES notation for 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene?
The canonical SMILES for 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene is Cc1cc(-c2ccccc2)cc(-c2ccc(-c3ccccc3)cc2-c2ccccc2)c1.
What is the InChIKey of 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene?
The InChIKey is SMMBPVCBFCIZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24/c1-23-19-28(25-13-7-3-8-14-25)21-29(20-23)30-18-17-27(24-11-5-2-6-12-24)22-31(30)26-15-9-4-10-16-26/h2-22H,1H3.
What are the key properties of 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene?
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene has a molecular weight of 396.53 g/mol, XLogP of 8.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene is sourced from PubChem (CID 140710828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).