1,2,5-trimethyl-3,4-diphenylbenzene

C21H20 — CID 19420158

IUPAC1,2,5-trimethyl-3,4-diphenylbenzene
SMILESCc1cc(C)c(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C21H20/c1-15-14-16(2)20(18-10-6-4-7-11-18)21(17(15)3)19-12-8-5-9-13-19/h4-14H,1-3H3
InChIKeyADHDSSYBYLQZIY-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.95
Rot. Bonds2

About 1,2,5-trimethyl-3,4-diphenylbenzene

1,2,5-trimethyl-3,4-diphenylbenzene (PubChem CID 19420158) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1,2,5-trimethyl-3,4-diphenylbenzene.

Molecular Properties

Compound Name1,2,5-trimethyl-3,4-diphenylbenzene
PubChem CID19420158
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name1,2,5-trimethyl-3,4-diphenylbenzene
SMILESCc1cc(C)c(-c2ccccc2)c(-c2ccccc2)c1C
InChIInChI=1S/C21H20/c1-15-14-16(2)20(18-10-6-4-7-11-18)21(17(15)3)19-12-8-5-9-13-19/h4-14H,1-3H3
InChIKeyADHDSSYBYLQZIY-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

Analyze 1,2,5-trimethyl-3,4-diphenylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,3,5-tetramethyl-4-phenylbenzene
CID 14973977
chloro-tris(4,5-dimethyl-2,3-diphenylphenyl)silane
CID 88962669
N-(3,5-dimethyl-4-phenylphenyl)-3,5-dimethyl-4-phenylaniline
CID 167515773
1,4-diphenyl-2,3,5,6-tetrakis[4-(2,4,6-trimethylphenyl)phenyl]benzene
CID 135033708
(3,5-dimethyl-2,6-diphenylphenyl)boronic acid
CID 178131684
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
1,4-dimethyl-2,3-diphenylanthracene
CID 44632824
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
ethane;1,2,3,4,5-pentamethyl-6-phenylbenzene
CID 91414507
2,4-dimethyl-1,3,5-triphenylbenzene
CID 54408386
3,4-dimethyl-2-phenylbenzenethiol
CID 20871539
CID 140811984
CID 140811984

Frequently Asked Questions

What is the IUPAC name of 1,2,5-trimethyl-3,4-diphenylbenzene?
The IUPAC name of 1,2,5-trimethyl-3,4-diphenylbenzene (CID 19420158) is 1,2,5-trimethyl-3,4-diphenylbenzene.
What is the SMILES notation for 1,2,5-trimethyl-3,4-diphenylbenzene?
The canonical SMILES for 1,2,5-trimethyl-3,4-diphenylbenzene is Cc1cc(C)c(-c2ccccc2)c(-c2ccccc2)c1C.
What is the InChIKey of 1,2,5-trimethyl-3,4-diphenylbenzene?
The InChIKey is ADHDSSYBYLQZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-15-14-16(2)20(18-10-6-4-7-11-18)21(17(15)3)19-12-8-5-9-13-19/h4-14H,1-3H3.
What are the key properties of 1,2,5-trimethyl-3,4-diphenylbenzene?
1,2,5-trimethyl-3,4-diphenylbenzene 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 1,2,5-trimethyl-3,4-diphenylbenzene is sourced from PubChem (CID 19420158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).