2-phenyl-7-(3-phenylphenyl)triphenylene

C36H24 — CID 140787387

IUPAC2-phenyl-7-(3-phenylphenyl)triphenylene
SMILESc1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C36H24/c1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30/h1-24H
InChIKeyGGYZRNBLNRJWCG-UHFFFAOYSA-N
MW456.59 g/mol
LogP10.15
Rot. Bonds3

About 2-phenyl-7-(3-phenylphenyl)triphenylene

2-phenyl-7-(3-phenylphenyl)triphenylene (PubChem CID 140787387) has the molecular formula C36H24 and a molecular weight of 456.59 g/mol. Its IUPAC name is 2-phenyl-7-(3-phenylphenyl)triphenylene.

Molecular Properties

Compound Name2-phenyl-7-(3-phenylphenyl)triphenylene
PubChem CID140787387
Molecular FormulaC36H24
Molecular Weight456.59 g/mol
Exact Mass456.19
IUPAC Name2-phenyl-7-(3-phenylphenyl)triphenylene
SMILESc1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1
InChIInChI=1S/C36H24/c1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30/h1-24H
InChIKeyGGYZRNBLNRJWCG-UHFFFAOYSA-N
XLogP10.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.59
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-7-(3-phenylphenyl)triphenylene?
The IUPAC name of 2-phenyl-7-(3-phenylphenyl)triphenylene (CID 140787387) is 2-phenyl-7-(3-phenylphenyl)triphenylene.
What is the SMILES notation for 2-phenyl-7-(3-phenylphenyl)triphenylene?
The canonical SMILES for 2-phenyl-7-(3-phenylphenyl)triphenylene is c1ccc(-c2cccc(-c3ccc4c5ccc(-c6ccccc6)cc5c5ccccc5c4c3)c2)cc1.
What is the InChIKey of 2-phenyl-7-(3-phenylphenyl)triphenylene?
The InChIKey is GGYZRNBLNRJWCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H24/c1-3-10-25(11-4-1)27-14-9-15-28(22-27)30-19-21-34-33-20-18-29(26-12-5-2-6-13-26)23-35(33)31-16-7-8-17-32(31)36(34)24-30/h1-24H.
What are the key properties of 2-phenyl-7-(3-phenylphenyl)triphenylene?
2-phenyl-7-(3-phenylphenyl)triphenylene has a molecular weight of 456.59 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-7-(3-phenylphenyl)triphenylene is sourced from PubChem (CID 140787387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).