1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene

C26H22 — CID 58892418

IUPAC1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
SMILESCc1ccc(-c2cccc(-c3ccc(-c4cccc(C)c4)cc3)c2)cc1
InChIInChI=1S/C26H22/c1-19-9-11-21(12-10-19)25-7-4-8-26(18-25)23-15-13-22(14-16-23)24-6-3-5-20(2)17-24/h3-18H,1-2H3
InChIKeyFQYDIIPTXZMKRX-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.30
Rot. Bonds3

About 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene

1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene (PubChem CID 58892418) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
PubChem CID58892418
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
SMILESCc1ccc(-c2cccc(-c3ccc(-c4cccc(C)c4)cc3)c2)cc1
InChIInChI=1S/C26H22/c1-19-9-11-21(12-10-19)25-7-4-8-26(18-25)23-15-13-22(14-16-23)24-6-3-5-20(2)17-24/h3-18H,1-2H3
InChIKeyFQYDIIPTXZMKRX-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

methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
ethane;1-methyl-3-[3-[3-(3-methylphenyl)phenyl]phenyl]benzene
CID 90845848
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-phenylbenzene
CID 142040878
1,3-dimethyl-5-[3-methyl-5-[3-methyl-5-(3-methylphenyl)phenyl]phenyl]benzene
CID 140856009
1,1'-biphenyl;1,3-diphenylbenzene;1,4-diphenylbenzene;ethane;toluene
CID 165006736

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene?
The IUPAC name of 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene (CID 58892418) is 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene.
What is the SMILES notation for 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene?
The canonical SMILES for 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene is Cc1ccc(-c2cccc(-c3ccc(-c4cccc(C)c4)cc3)c2)cc1.
What is the InChIKey of 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene?
The InChIKey is FQYDIIPTXZMKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-19-9-11-21(12-10-19)25-7-4-8-26(18-25)23-15-13-22(14-16-23)24-6-3-5-20(2)17-24/h3-18H,1-2H3.
What are the key properties of 1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene?
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]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-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene is sourced from PubChem (CID 58892418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).