2,3-diphenyl-1H-benzotriazole

C18H15N3 — CID 175768645

IUPAC2,3-diphenyl-1H-benzotriazole
SMILESc1ccc(N2Nc3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C18H15N3/c1-3-9-15(10-4-1)20-18-14-8-7-13-17(18)19-21(20)16-11-5-2-6-12-16/h1-14,19H
InChIKeyMPUDYZYLEFRTDY-UHFFFAOYSA-N
MW273.34 g/mol
LogP4.59
Rot. Bonds2

About 2,3-diphenyl-1H-benzotriazole

2,3-diphenyl-1H-benzotriazole (PubChem CID 175768645) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2,3-diphenyl-1H-benzotriazole.

Molecular Properties

Compound Name2,3-diphenyl-1H-benzotriazole
PubChem CID175768645
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name2,3-diphenyl-1H-benzotriazole
SMILESc1ccc(N2Nc3ccccc3N2c2ccccc2)cc1
InChIInChI=1S/C18H15N3/c1-3-9-15(10-4-1)20-18-14-8-7-13-17(18)19-21(20)16-11-5-2-6-12-16/h1-14,19H
InChIKeyMPUDYZYLEFRTDY-UHFFFAOYSA-N
XLogP4.59
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-1H-benzotriazole?
The IUPAC name of 2,3-diphenyl-1H-benzotriazole (CID 175768645) is 2,3-diphenyl-1H-benzotriazole.
What is the SMILES notation for 2,3-diphenyl-1H-benzotriazole?
The canonical SMILES for 2,3-diphenyl-1H-benzotriazole is c1ccc(N2Nc3ccccc3N2c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-1H-benzotriazole?
The InChIKey is MPUDYZYLEFRTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-3-9-15(10-4-1)20-18-14-8-7-13-17(18)19-21(20)16-11-5-2-6-12-16/h1-14,19H.
What are the key properties of 2,3-diphenyl-1H-benzotriazole?
2,3-diphenyl-1H-benzotriazole has a molecular weight of 273.34 g/mol, XLogP of 4.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-1H-benzotriazole is sourced from PubChem (CID 175768645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).