5,5-diphenyl-2,4-dihydrobenzotriazole

C18H15N3 — CID 57304835

IUPAC5,5-diphenyl-2,4-dihydrobenzotriazole
SMILESC1=CC(c2ccccc2)(c2ccccc2)Cc2n[nH]nc21
InChIInChI=1S/C18H15N3/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)12-11-16-17(13-18)20-21-19-16/h1-12H,13H2,(H,19,20,21)
InChIKeyQDACEFCHGSOZAP-UHFFFAOYSA-N
MW273.34 g/mol
LogP3.36
Rot. Bonds2

About 5,5-diphenyl-2,4-dihydrobenzotriazole

5,5-diphenyl-2,4-dihydrobenzotriazole (PubChem CID 57304835) has the molecular formula C18H15N3 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5,5-diphenyl-2,4-dihydrobenzotriazole.

Molecular Properties

Compound Name5,5-diphenyl-2,4-dihydrobenzotriazole
PubChem CID57304835
Molecular FormulaC18H15N3
Molecular Weight273.34 g/mol
Exact Mass273.13
IUPAC Name5,5-diphenyl-2,4-dihydrobenzotriazole
SMILESC1=CC(c2ccccc2)(c2ccccc2)Cc2n[nH]nc21
InChIInChI=1S/C18H15N3/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)12-11-16-17(13-18)20-21-19-16/h1-12H,13H2,(H,19,20,21)
InChIKeyQDACEFCHGSOZAP-UHFFFAOYSA-N
XLogP3.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,5-diphenyl-2,4-dihydrobenzotriazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,5-Diphenyl-1,2,3-triazole
CID 613500
5-methyl-4-phenyl-1H-1,2,3-triazole
CID 12207442
4,5-Diphenyl-1H-1,2,3-triazol-1-amine
CID 271096
4-(4-methylphenyl)-5-phenyl-2H-triazole
CID 14248857
4-Ethyl-5-phenyl-2H-1,2,3-triazole
CID 15501643
Trityltriazole
CID 53866022
4-benzyl-5-phenyl-2H-triazole
CID 90419782
4-phenyl-5-(1-phenylethenyl)-2H-triazole
CID 101859600
4-methyl-5-(2-phenylethyl)-2H-triazole
CID 134854544
t-Butylphenyl-1,2,3-triazole
CID 137365486
4-(2,6-dimethylphenyl)-5-phenyl-2H-triazole
CID 153997680
4-(3,4-difluorophenyl)-5-trityl-2H-triazole
CID 54079883

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-2,4-dihydrobenzotriazole?
The IUPAC name of 5,5-diphenyl-2,4-dihydrobenzotriazole (CID 57304835) is 5,5-diphenyl-2,4-dihydrobenzotriazole.
What is the SMILES notation for 5,5-diphenyl-2,4-dihydrobenzotriazole?
The canonical SMILES for 5,5-diphenyl-2,4-dihydrobenzotriazole is C1=CC(c2ccccc2)(c2ccccc2)Cc2n[nH]nc21.
What is the InChIKey of 5,5-diphenyl-2,4-dihydrobenzotriazole?
The InChIKey is QDACEFCHGSOZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3/c1-3-7-14(8-4-1)18(15-9-5-2-6-10-15)12-11-16-17(13-18)20-21-19-16/h1-12H,13H2,(H,19,20,21).
What are the key properties of 5,5-diphenyl-2,4-dihydrobenzotriazole?
5,5-diphenyl-2,4-dihydrobenzotriazole has a molecular weight of 273.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-2,4-dihydrobenzotriazole is sourced from PubChem (CID 57304835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).