1-benzhydrylbenzotriazole

C19H15N3 — CID 3851390

IUPAC1-benzhydrylbenzotriazole
SMILESc1ccc(C(c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H15N3/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20-21-22/h1-14,19H
InChIKeyCQWFLEXUDOXGEJ-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.07
Rot. Bonds3

About 1-benzhydrylbenzotriazole

1-benzhydrylbenzotriazole (PubChem CID 3851390) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-benzhydrylbenzotriazole.

Molecular Properties

Compound Name1-benzhydrylbenzotriazole
PubChem CID3851390
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name1-benzhydrylbenzotriazole
SMILESc1ccc(C(c2ccccc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H15N3/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20-21-22/h1-14,19H
InChIKeyCQWFLEXUDOXGEJ-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylbenzotriazole?
The IUPAC name of 1-benzhydrylbenzotriazole (CID 3851390) is 1-benzhydrylbenzotriazole.
What is the SMILES notation for 1-benzhydrylbenzotriazole?
The canonical SMILES for 1-benzhydrylbenzotriazole is c1ccc(C(c2ccccc2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-benzhydrylbenzotriazole?
The InChIKey is CQWFLEXUDOXGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)22-18-14-8-7-13-17(18)20-21-22/h1-14,19H.
What are the key properties of 1-benzhydrylbenzotriazole?
1-benzhydrylbenzotriazole has a molecular weight of 285.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylbenzotriazole is sourced from PubChem (CID 3851390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).