1-(1,2-diphenylethyl)benzotriazole

C20H17N3 — CID 3713183

IUPAC1-(1,2-diphenylethyl)benzotriazole
SMILESc1ccc(CC(c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C20H17N3/c1-3-9-16(10-4-1)15-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21-22-23/h1-14,20H,15H2
InChIKeyVNVPQKHABGDJPD-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.26
Rot. Bonds4

About 1-(1,2-diphenylethyl)benzotriazole

1-(1,2-diphenylethyl)benzotriazole (PubChem CID 3713183) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 1-(1,2-diphenylethyl)benzotriazole.

Molecular Properties

Compound Name1-(1,2-diphenylethyl)benzotriazole
PubChem CID3713183
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name1-(1,2-diphenylethyl)benzotriazole
SMILESc1ccc(CC(c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C20H17N3/c1-3-9-16(10-4-1)15-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21-22-23/h1-14,20H,15H2
InChIKeyVNVPQKHABGDJPD-UHFFFAOYSA-N
XLogP4.26
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
CID 3540925
4-[1-(benzotriazol-1-yl)-2-phenylethyl]-N-methylaniline
CID 3714247
1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole
CID 3783348
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
CID 3827828
2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine
CID 134208512
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
1-[phenoxy(phenyl)methyl]benzotriazole
CID 3778951
1-[diethoxyphosphoryl(phenyl)methyl]benzotriazole
CID 3702071
[benzotriazol-1-yl(phenyl)methyl]-tributylstannane
CID 3746336
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
1-[furan-2-yl(phenyl)methyl]benzotriazole
CID 5142470
1-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-diphenylethyl)benzotriazole?
The IUPAC name of 1-(1,2-diphenylethyl)benzotriazole (CID 3713183) is 1-(1,2-diphenylethyl)benzotriazole.
What is the SMILES notation for 1-(1,2-diphenylethyl)benzotriazole?
The canonical SMILES for 1-(1,2-diphenylethyl)benzotriazole is c1ccc(CC(c2ccccc2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-(1,2-diphenylethyl)benzotriazole?
The InChIKey is VNVPQKHABGDJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-3-9-16(10-4-1)15-20(17-11-5-2-6-12-17)23-19-14-8-7-13-18(19)21-22-23/h1-14,20H,15H2.
What are the key properties of 1-(1,2-diphenylethyl)benzotriazole?
1-(1,2-diphenylethyl)benzotriazole has a molecular weight of 299.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-diphenylethyl)benzotriazole is sourced from PubChem (CID 3713183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).