1-(4-phenoxyphenyl)-4-phenyltriazole

C20H15N3O — CID 102489382

IUPAC1-(4-phenoxyphenyl)-4-phenyltriazole
SMILESc1ccc(Oc2ccc(-n3cc(-c4ccccc4)nn3)cc2)cc1
InChIInChI=1S/C20H15N3O/c1-3-7-16(8-4-1)20-15-23(22-21-20)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-15H
InChIKeyVYWLFRJJELGWGS-UHFFFAOYSA-N
MW313.36 g/mol
LogP4.73
Rot. Bonds4

About 1-(4-phenoxyphenyl)-4-phenyltriazole

1-(4-phenoxyphenyl)-4-phenyltriazole (PubChem CID 102489382) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-4-phenyltriazole.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-4-phenyltriazole
PubChem CID102489382
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name1-(4-phenoxyphenyl)-4-phenyltriazole
SMILESc1ccc(Oc2ccc(-n3cc(-c4ccccc4)nn3)cc2)cc1
InChIInChI=1S/C20H15N3O/c1-3-7-16(8-4-1)20-15-23(22-21-20)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-15H
InChIKeyVYWLFRJJELGWGS-UHFFFAOYSA-N
XLogP4.73
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-4-phenyltriazole?
The IUPAC name of 1-(4-phenoxyphenyl)-4-phenyltriazole (CID 102489382) is 1-(4-phenoxyphenyl)-4-phenyltriazole.
What is the SMILES notation for 1-(4-phenoxyphenyl)-4-phenyltriazole?
The canonical SMILES for 1-(4-phenoxyphenyl)-4-phenyltriazole is c1ccc(Oc2ccc(-n3cc(-c4ccccc4)nn3)cc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-4-phenyltriazole?
The InChIKey is VYWLFRJJELGWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O/c1-3-7-16(8-4-1)20-15-23(22-21-20)17-11-13-19(14-12-17)24-18-9-5-2-6-10-18/h1-15H.
What are the key properties of 1-(4-phenoxyphenyl)-4-phenyltriazole?
1-(4-phenoxyphenyl)-4-phenyltriazole has a molecular weight of 313.36 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-4-phenyltriazole is sourced from PubChem (CID 102489382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).