1-phenyl-4-(4-phenylphenyl)triazole

C20H15N3 — CID 140714352

IUPAC1-phenyl-4-(4-phenylphenyl)triazole
SMILESc1ccc(-c2ccc(-c3cn(-c4ccccc4)nn3)cc2)cc1
InChIInChI=1S/C20H15N3/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-23(22-21-20)19-9-5-2-6-10-19/h1-15H
InChIKeyBSEPXEUAWJKEJA-UHFFFAOYSA-N
MW297.36 g/mol
LogP4.60
Rot. Bonds3

About 1-phenyl-4-(4-phenylphenyl)triazole

1-phenyl-4-(4-phenylphenyl)triazole (PubChem CID 140714352) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-phenyl-4-(4-phenylphenyl)triazole.

Molecular Properties

Compound Name1-phenyl-4-(4-phenylphenyl)triazole
PubChem CID140714352
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name1-phenyl-4-(4-phenylphenyl)triazole
SMILESc1ccc(-c2ccc(-c3cn(-c4ccccc4)nn3)cc2)cc1
InChIInChI=1S/C20H15N3/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-23(22-21-20)19-9-5-2-6-10-19/h1-15H
InChIKeyBSEPXEUAWJKEJA-UHFFFAOYSA-N
XLogP4.60
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(4-phenylphenyl)triazole?
The IUPAC name of 1-phenyl-4-(4-phenylphenyl)triazole (CID 140714352) is 1-phenyl-4-(4-phenylphenyl)triazole.
What is the SMILES notation for 1-phenyl-4-(4-phenylphenyl)triazole?
The canonical SMILES for 1-phenyl-4-(4-phenylphenyl)triazole is c1ccc(-c2ccc(-c3cn(-c4ccccc4)nn3)cc2)cc1.
What is the InChIKey of 1-phenyl-4-(4-phenylphenyl)triazole?
The InChIKey is BSEPXEUAWJKEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-23(22-21-20)19-9-5-2-6-10-19/h1-15H.
What are the key properties of 1-phenyl-4-(4-phenylphenyl)triazole?
1-phenyl-4-(4-phenylphenyl)triazole has a molecular weight of 297.36 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(4-phenylphenyl)triazole is sourced from PubChem (CID 140714352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).