phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone

C22H17N3O — CID 24789347

IUPACphenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H17N3O/c26-22(19-9-5-2-6-10-19)20-13-11-17(12-14-20)15-25-16-21(23-24-25)18-7-3-1-4-8-18/h1-14,16H,15H2
InChIKeyGKHPFGWUHGKRRF-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.22
Rot. Bonds5

About phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone

phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone (PubChem CID 24789347) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone.

Molecular Properties

Compound Namephenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone
PubChem CID24789347
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Namephenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone
SMILESO=C(c1ccccc1)c1ccc(Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C22H17N3O/c26-22(19-9-5-2-6-10-19)20-13-11-17(12-14-20)15-25-16-21(23-24-25)18-7-3-1-4-8-18/h1-14,16H,15H2
InChIKeyGKHPFGWUHGKRRF-UHFFFAOYSA-N
XLogP4.22
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone?
The IUPAC name of phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone (CID 24789347) is phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone.
What is the SMILES notation for phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone?
The canonical SMILES for phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone is O=C(c1ccccc1)c1ccc(Cn2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone?
The InChIKey is GKHPFGWUHGKRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O/c26-22(19-9-5-2-6-10-19)20-13-11-17(12-14-20)15-25-16-21(23-24-25)18-7-3-1-4-8-18/h1-14,16H,15H2.
What are the key properties of phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone?
phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone has a molecular weight of 339.40 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-[(4-phenyltriazol-1-yl)methyl]phenyl]methanone is sourced from PubChem (CID 24789347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).