1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene

C26H22 — CID 141408697

IUPAC1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
SMILESCc1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1C
InChIInChI=1S/C26H22/c1-19-16-25(22-12-7-4-8-13-22)18-26(20(19)2)24-15-9-14-23(17-24)21-10-5-3-6-11-21/h3-18H,1-2H3
InChIKeyXOHCWLZXXBQZBI-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.30
Rot. Bonds3

About 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene

1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene (PubChem CID 141408697) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene.

Molecular Properties

Compound Name1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
PubChem CID141408697
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene
SMILESCc1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1C
InChIInChI=1S/C26H22/c1-19-16-25(22-12-7-4-8-13-22)18-26(20(19)2)24-15-9-14-23(17-24)21-10-5-3-6-11-21/h3-18H,1-2H3
InChIKeyXOHCWLZXXBQZBI-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[3-(3,5-dimethylphenyl)phenyl]-3,5-diphenylbenzene;1,2,5-trimethyl-3-[3-[3-phenyl-5-[3-(2,3,5-trimethylphenyl)phenyl]phenyl]phenyl]benzene
CID 159646654
5-(3,5-diphenylphenyl)-2-methyl-1,3-diphenylbenzene
CID 58760870
2-methyl-1,3-bis(3-phenylphenyl)benzene
CID 162497496
ethane;1,2,3-trimethyl-5-[4-[3-phenyl-5-[3,4,5-tris(3,4,5-trimethylphenyl)phenyl]phenyl]-2,6-bis(3,4,5-trimethylphenyl)phenyl]benzene
CID 123939497
ethane;1-methyl-2-(3-phenylphenyl)benzene
CID 142541189
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488
1-[3-methyl-4-[2-methyl-4-[3-methyl-4-[2-methyl-4-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-3,5-diphenylbenzene
CID 58881209
5-[3-[3,5-dimethyl-4-(3,4,5-trimethylphenyl)phenyl]-5-phenylphenyl]-1,3-dimethyl-2-(3,4,5-trimethylphenyl)benzene;ethane
CID 123394751
bis(1,3-diphenylbenzene);ethane
CID 144938975
1-(3-phenylphenyl)-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]phenyl]-5-[3-(3-phenylphenyl)-5-[3-[3-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124504
1-[3-(4-phenylphenyl)phenyl]-3-[3-[3-(3-phenylphenyl)phenyl]phenyl]-5-[3-[3-[3-(4-phenylphenyl)phenyl]-5-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]benzene
CID 177124478
1,3-bis(3,5-diphenylphenyl)-5-[4-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]phenyl]benzene
CID 166563615

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene?
The IUPAC name of 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene (CID 141408697) is 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene.
What is the SMILES notation for 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene?
The canonical SMILES for 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene is Cc1cc(-c2ccccc2)cc(-c2cccc(-c3ccccc3)c2)c1C.
What is the InChIKey of 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene?
The InChIKey is XOHCWLZXXBQZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-19-16-25(22-12-7-4-8-13-22)18-26(20(19)2)24-15-9-14-23(17-24)21-10-5-3-6-11-21/h3-18H,1-2H3.
What are the key properties of 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene?
1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene has a molecular weight of 334.46 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-5-phenyl-3-(3-phenylphenyl)benzene is sourced from PubChem (CID 141408697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).