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

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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).