2,4-dimethyl-1,3,5-triphenylbenzene

C26H22 — CID 54408386

IUPAC2,4-dimethyl-1,3,5-triphenylbenzene
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C26H22/c1-19-24(21-12-6-3-7-13-21)18-25(22-14-8-4-9-15-22)20(2)26(19)23-16-10-5-11-17-23/h3-18H,1-2H3
InChIKeyVSJHWHBWYCQITI-UHFFFAOYSA-N
MW334.46 g/mol
LogP7.30
Rot. Bonds3

About 2,4-dimethyl-1,3,5-triphenylbenzene

2,4-dimethyl-1,3,5-triphenylbenzene (PubChem CID 54408386) has the molecular formula C26H22 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2,4-dimethyl-1,3,5-triphenylbenzene.

Molecular Properties

Compound Name2,4-dimethyl-1,3,5-triphenylbenzene
PubChem CID54408386
Molecular FormulaC26H22
Molecular Weight334.46 g/mol
Exact Mass334.17
IUPAC Name2,4-dimethyl-1,3,5-triphenylbenzene
SMILESCc1c(-c2ccccc2)cc(-c2ccccc2)c(C)c1-c1ccccc1
InChIInChI=1S/C26H22/c1-19-24(21-12-6-3-7-13-21)18-25(22-14-8-4-9-15-22)20(2)26(19)23-16-10-5-11-17-23/h3-18H,1-2H3
InChIKeyVSJHWHBWYCQITI-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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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1,3,5-triphenylbenzene?
The IUPAC name of 2,4-dimethyl-1,3,5-triphenylbenzene (CID 54408386) is 2,4-dimethyl-1,3,5-triphenylbenzene.
What is the SMILES notation for 2,4-dimethyl-1,3,5-triphenylbenzene?
The canonical SMILES for 2,4-dimethyl-1,3,5-triphenylbenzene is Cc1c(-c2ccccc2)cc(-c2ccccc2)c(C)c1-c1ccccc1.
What is the InChIKey of 2,4-dimethyl-1,3,5-triphenylbenzene?
The InChIKey is VSJHWHBWYCQITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22/c1-19-24(21-12-6-3-7-13-21)18-25(22-14-8-4-9-15-22)20(2)26(19)23-16-10-5-11-17-23/h3-18H,1-2H3.
What are the key properties of 2,4-dimethyl-1,3,5-triphenylbenzene?
2,4-dimethyl-1,3,5-triphenylbenzene 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 2,4-dimethyl-1,3,5-triphenylbenzene is sourced from PubChem (CID 54408386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).