1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole

C19H14N6 — CID 3807042

IUPAC1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole
SMILESc1ccc(C(n2nnc3ccccc32)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H14N6/c1-2-8-14(9-3-1)19(24-17-12-6-4-10-15(17)20-22-24)25-18-13-7-5-11-16(18)21-23-25/h1-13,19H
InChIKeySQVGBIQSEYQZQV-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.27
Rot. Bonds3

About 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole

1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole (PubChem CID 3807042) has the molecular formula C19H14N6 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole.

Molecular Properties

Compound Name1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole
PubChem CID3807042
Molecular FormulaC19H14N6
Molecular Weight326.36 g/mol
Exact Mass326.13
IUPAC Name1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole
SMILESc1ccc(C(n2nnc3ccccc32)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H14N6/c1-2-8-14(9-3-1)19(24-17-12-6-4-10-15(17)20-22-24)25-18-13-7-5-11-16(18)21-23-25/h1-13,19H
InChIKeySQVGBIQSEYQZQV-UHFFFAOYSA-N
XLogP3.27
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole?
The IUPAC name of 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole (CID 3807042) is 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole.
What is the SMILES notation for 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole?
The canonical SMILES for 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole is c1ccc(C(n2nnc3ccccc32)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole?
The InChIKey is SQVGBIQSEYQZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6/c1-2-8-14(9-3-1)19(24-17-12-6-4-10-15(17)20-22-24)25-18-13-7-5-11-16(18)21-23-25/h1-13,19H.
What are the key properties of 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole?
1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole has a molecular weight of 326.36 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzotriazol-1-yl(phenyl)methyl]benzotriazole is sourced from PubChem (CID 3807042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).