1,3-bis(2-phenylphenyl)benzene

C30H22 — CID 633388

IUPAC1,3-bis(2-phenylphenyl)benzene
SMILESc1ccc(-c2ccccc2-c2cccc(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)25-16-11-17-26(22-25)30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22H
InChIKeyPJHQBYBCLZCZNF-UHFFFAOYSA-N
MW382.51 g/mol
LogP8.35
Rot. Bonds4

About 1,3-bis(2-phenylphenyl)benzene

1,3-bis(2-phenylphenyl)benzene (PubChem CID 633388) has the molecular formula C30H22 and a molecular weight of 382.51 g/mol. Its IUPAC name is 1,3-bis(2-phenylphenyl)benzene.

Molecular Properties

Compound Name1,3-bis(2-phenylphenyl)benzene
PubChem CID633388
Molecular FormulaC30H22
Molecular Weight382.51 g/mol
Exact Mass382.17
IUPAC Name1,3-bis(2-phenylphenyl)benzene
SMILESc1ccc(-c2ccccc2-c2cccc(-c3ccccc3-c3ccccc3)c2)cc1
InChIInChI=1S/C30H22/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)25-16-11-17-26(22-25)30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22H
InChIKeyPJHQBYBCLZCZNF-UHFFFAOYSA-N
XLogP8.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2-phenylphenyl)benzene?
The IUPAC name of 1,3-bis(2-phenylphenyl)benzene (CID 633388) is 1,3-bis(2-phenylphenyl)benzene.
What is the SMILES notation for 1,3-bis(2-phenylphenyl)benzene?
The canonical SMILES for 1,3-bis(2-phenylphenyl)benzene is c1ccc(-c2ccccc2-c2cccc(-c3ccccc3-c3ccccc3)c2)cc1.
What is the InChIKey of 1,3-bis(2-phenylphenyl)benzene?
The InChIKey is PJHQBYBCLZCZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22/c1-3-12-23(13-4-1)27-18-7-9-20-29(27)25-16-11-17-26(22-25)30-21-10-8-19-28(30)24-14-5-2-6-15-24/h1-22H.
What are the key properties of 1,3-bis(2-phenylphenyl)benzene?
1,3-bis(2-phenylphenyl)benzene has a molecular weight of 382.51 g/mol, XLogP of 8.35, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-phenylphenyl)benzene is sourced from PubChem (CID 633388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).