4-(3-methylphenyl)-1,2-diphenylbenzene

C25H20 — CID 59171658

IUPAC4-(3-methylphenyl)-1,2-diphenylbenzene
SMILESCc1cccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C25H20/c1-19-9-8-14-22(17-19)23-15-16-24(20-10-4-2-5-11-20)25(18-23)21-12-6-3-7-13-21/h2-18H,1H3
InChIKeyNDNBQZULFUAFSA-UHFFFAOYSA-N
MW320.44 g/mol
LogP7.00
Rot. Bonds3

About 4-(3-methylphenyl)-1,2-diphenylbenzene

4-(3-methylphenyl)-1,2-diphenylbenzene (PubChem CID 59171658) has the molecular formula C25H20 and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1,2-diphenylbenzene.

Molecular Properties

Compound Name4-(3-methylphenyl)-1,2-diphenylbenzene
PubChem CID59171658
Molecular FormulaC25H20
Molecular Weight320.44 g/mol
Exact Mass320.16
IUPAC Name4-(3-methylphenyl)-1,2-diphenylbenzene
SMILESCc1cccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C25H20/c1-19-9-8-14-22(17-19)23-15-16-24(20-10-4-2-5-11-20)25(18-23)21-12-6-3-7-13-21/h2-18H,1H3
InChIKeyNDNBQZULFUAFSA-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.44
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
CID 59552818
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-(2,4-diphenylphenyl)-3-methyl-5-phenylbenzene
CID 140710828
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
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
1,2,4-triphenylbenzene
CID 518325
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-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
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
ethane;1-methyl-3-phenylbenzene
CID 142040878

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1,2-diphenylbenzene?
The IUPAC name of 4-(3-methylphenyl)-1,2-diphenylbenzene (CID 59171658) is 4-(3-methylphenyl)-1,2-diphenylbenzene.
What is the SMILES notation for 4-(3-methylphenyl)-1,2-diphenylbenzene?
The canonical SMILES for 4-(3-methylphenyl)-1,2-diphenylbenzene is Cc1cccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-1,2-diphenylbenzene?
The InChIKey is NDNBQZULFUAFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20/c1-19-9-8-14-22(17-19)23-15-16-24(20-10-4-2-5-11-20)25(18-23)21-12-6-3-7-13-21/h2-18H,1H3.
What are the key properties of 4-(3-methylphenyl)-1,2-diphenylbenzene?
4-(3-methylphenyl)-1,2-diphenylbenzene has a molecular weight of 320.44 g/mol, XLogP of 7.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1,2-diphenylbenzene is sourced from PubChem (CID 59171658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).