1,3,5-triphenylbenzene

C48H36 — CID 158331433

IUPAC1,3,5-triphenylbenzene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/2C24H18/c2*1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h2*1-18H
InChIKeyGQBDQHJUNPXNGE-UHFFFAOYSA-N
MW612.82 g/mol
LogP13.38
Rot. Bonds6

About 1,3,5-triphenylbenzene

1,3,5-triphenylbenzene (PubChem CID 158331433) has the molecular formula C48H36 and a molecular weight of 612.82 g/mol. Its IUPAC name is 1,3,5-triphenylbenzene.

Molecular Properties

Compound Name1,3,5-triphenylbenzene
PubChem CID158331433
Molecular FormulaC48H36
Molecular Weight612.82 g/mol
Exact Mass612.28
IUPAC Name1,3,5-triphenylbenzene
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1
InChIInChI=1S/2C24H18/c2*1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h2*1-18H
InChIKeyGQBDQHJUNPXNGE-UHFFFAOYSA-N
XLogP13.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.82
LogP ≤ 513.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triphenylbenzene?
The IUPAC name of 1,3,5-triphenylbenzene (CID 158331433) is 1,3,5-triphenylbenzene.
What is the SMILES notation for 1,3,5-triphenylbenzene?
The canonical SMILES for 1,3,5-triphenylbenzene is c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)c2)cc1.
What is the InChIKey of 1,3,5-triphenylbenzene?
The InChIKey is GQBDQHJUNPXNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H18/c2*1-4-10-19(11-5-1)22-16-23(20-12-6-2-7-13-20)18-24(17-22)21-14-8-3-9-15-21/h2*1-18H.
What are the key properties of 1,3,5-triphenylbenzene?
1,3,5-triphenylbenzene has a molecular weight of 612.82 g/mol, XLogP of 13.38, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triphenylbenzene is sourced from PubChem (CID 158331433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).