1,2,4-triphenylbenzene

C24H18 — CID 518325

IUPAC1,2,4-triphenylbenzene
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-18H
InChIKeyXXCVBOQRPQKVKY-UHFFFAOYSA-N
MW306.41 g/mol
LogP6.69
Rot. Bonds3

About 1,2,4-triphenylbenzene

1,2,4-triphenylbenzene (PubChem CID 518325) has the molecular formula C24H18 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1,2,4-triphenylbenzene.

Molecular Properties

Compound Name1,2,4-triphenylbenzene
PubChem CID518325
Molecular FormulaC24H18
Molecular Weight306.41 g/mol
Exact Mass306.14
IUPAC Name1,2,4-triphenylbenzene
SMILESc1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1
InChIInChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-18H
InChIKeyXXCVBOQRPQKVKY-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.41
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,4-triphenylbenzene?
The IUPAC name of 1,2,4-triphenylbenzene (CID 518325) is 1,2,4-triphenylbenzene.
What is the SMILES notation for 1,2,4-triphenylbenzene?
The canonical SMILES for 1,2,4-triphenylbenzene is c1ccc(-c2ccc(-c3ccccc3)c(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,2,4-triphenylbenzene?
The InChIKey is XXCVBOQRPQKVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18/c1-4-10-19(11-5-1)22-16-17-23(20-12-6-2-7-13-20)24(18-22)21-14-8-3-9-15-21/h1-18H.
What are the key properties of 1,2,4-triphenylbenzene?
1,2,4-triphenylbenzene has a molecular weight of 306.41 g/mol, XLogP of 6.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4-triphenylbenzene is sourced from PubChem (CID 518325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).