1-[(4-phenylphenyl)methyl]benzotriazole

C19H15N3 — CID 7504549

IUPAC1-[(4-phenylphenyl)methyl]benzotriazole
SMILESc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)cc1
InChIInChI=1S/C19H15N3/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-22-19-9-5-4-8-18(19)20-21-22/h1-13H,14H2
InChIKeyFAFBDZAJPWABST-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.15
Rot. Bonds3

About 1-[(4-phenylphenyl)methyl]benzotriazole

1-[(4-phenylphenyl)methyl]benzotriazole (PubChem CID 7504549) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]benzotriazole
PubChem CID7504549
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name1-[(4-phenylphenyl)methyl]benzotriazole
SMILESc1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)cc1
InChIInChI=1S/C19H15N3/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-22-19-9-5-4-8-18(19)20-21-22/h1-13H,14H2
InChIKeyFAFBDZAJPWABST-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-phenylphenyl)methyl]benzotriazole?
The IUPAC name of 1-[(4-phenylphenyl)methyl]benzotriazole (CID 7504549) is 1-[(4-phenylphenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]benzotriazole?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]benzotriazole is c1ccc(-c2ccc(Cn3nnc4ccccc43)cc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]benzotriazole?
The InChIKey is FAFBDZAJPWABST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-2-6-16(7-3-1)17-12-10-15(11-13-17)14-22-19-9-5-4-8-18(19)20-21-22/h1-13H,14H2.
What are the key properties of 1-[(4-phenylphenyl)methyl]benzotriazole?
1-[(4-phenylphenyl)methyl]benzotriazole has a molecular weight of 285.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]benzotriazole is sourced from PubChem (CID 7504549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).