1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene

C26H22 — CID 171799040

IUPAC1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
SMILESCc1cccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)c1C
InChIInChI=1S/C26H22/c1-19-9-8-14-24(20(19)2)26-13-7-6-12-25(26)23-17-15-22(16-18-23)21-10-4-3-5-11-21/h3-18H,1-2H3
InChIKeyKMOUWFHFFVLVLW-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.30
Rot. Bonds3

About 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene

1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene (PubChem CID 171799040) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
PubChem CID171799040
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene
SMILESCc1cccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)c1C
InChIInChI=1S/C26H22/c1-19-9-8-14-24(20(19)2)26-13-7-6-12-25(26)23-17-15-22(16-18-23)21-10-4-3-5-11-21/h3-18H,1-2H3
InChIKeyKMOUWFHFFVLVLW-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

1,2-dimethyl-3-(2-phenylphenyl)benzene
CID 54215466
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
2-methyl-1,3-bis(2-methyl-4-phenylphenyl)benzene
CID 162497500
1,2-dimethyl-3-[2-methyl-5-(2-methylphenyl)phenyl]benzene
CID 123207081
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1-(4-iodophenyl)-2,3-dimethylbenzene
CID 20871963

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene?
The IUPAC name of 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene (CID 171799040) is 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene.
What is the SMILES notation for 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene?
The canonical SMILES for 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene is Cc1cccc(-c2ccccc2-c2ccc(-c3ccccc3)cc2)c1C.
What is the InChIKey of 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene?
The InChIKey is KMOUWFHFFVLVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-19-9-8-14-24(20(19)2)26-13-7-6-12-25(26)23-17-15-22(16-18-23)21-10-4-3-5-11-21/h3-18H,1-2H3.
What are the key properties of 1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]benzene?
1,2-dimethyl-3-[2-(4-phenylphenyl)phenyl]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-3-[2-(4-phenylphenyl)phenyl]benzene is sourced from PubChem (CID 171799040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).