1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene

C21H20 — CID 141155122

IUPAC1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
SMILESCc1ccccc1-c1c(C)ccc(C)c1-c1ccccc1
InChIInChI=1S/C21H20/c1-15-9-7-8-12-19(15)21-17(3)14-13-16(2)20(21)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyJZLGNJWTHHNAPU-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.95
Rot. Bonds2

About 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene

1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene (PubChem CID 141155122) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene.

Molecular Properties

Compound Name1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
PubChem CID141155122
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene
SMILESCc1ccccc1-c1c(C)ccc(C)c1-c1ccccc1
InChIInChI=1S/C21H20/c1-15-9-7-8-12-19(15)21-17(3)14-13-16(2)20(21)18-10-5-4-6-11-18/h4-14H,1-3H3
InChIKeyJZLGNJWTHHNAPU-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-(2-methylphenyl)-6,11,12-triphenyltetracene
CID 59307472
1-methyl-2,3-diphenylbenzene;sulfane
CID 174862423
azane;1-methyl-2,3-diphenylbenzene
CID 175031313
1,2-dimethyl-4-(2-methylphenyl)-3-phenylbenzene
CID 141298222
lithium;hydride;1-methyl-2,3-diphenylbenzene
CID 175388205
1,2-bis(2-methylphenyl)-3-phenylbenzene
CID 175315364
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
1-methyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 58389745
1-methyl-2-(4-phenylphenyl)benzene
CID 144588078
1-methyl-2-phenylbenzene;prop-1-ene
CID 144960650
1-methyl-2-phenyl-3-(3-phenylphenyl)benzene
CID 59171668
1,3-dimethyl-2-(4-methyl-3-phenylphenyl)benzene
CID 168751305

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene?
The IUPAC name of 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene (CID 141155122) is 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene.
What is the SMILES notation for 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene?
The canonical SMILES for 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene is Cc1ccccc1-c1c(C)ccc(C)c1-c1ccccc1.
What is the InChIKey of 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene?
The InChIKey is JZLGNJWTHHNAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-15-9-7-8-12-19(15)21-17(3)14-13-16(2)20(21)18-10-5-4-6-11-18/h4-14H,1-3H3.
What are the key properties of 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene?
1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene has a molecular weight of 272.39 g/mol, XLogP of 5.95, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-(2-methylphenyl)-3-phenylbenzene is sourced from PubChem (CID 141155122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).