5-(2-chlorophenyl)-2-trityltetrazole

C26H19ClN4 — CID 86055303

IUPAC5-(2-chlorophenyl)-2-trityltetrazole
SMILESClc1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H19ClN4/c27-24-19-11-10-18-23(24)25-28-30-31(29-25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyHGYGKXXVTVKEPI-UHFFFAOYSA-N
MW422.92 g/mol
LogP5.83
Rot. Bonds5

About 5-(2-chlorophenyl)-2-trityltetrazole

5-(2-chlorophenyl)-2-trityltetrazole (PubChem CID 86055303) has the molecular formula C26H19ClN4 and a molecular weight of 422.92 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-2-trityltetrazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-2-trityltetrazole
PubChem CID86055303
Molecular FormulaC26H19ClN4
Molecular Weight422.92 g/mol
Exact Mass422.13
IUPAC Name5-(2-chlorophenyl)-2-trityltetrazole
SMILESClc1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C26H19ClN4/c27-24-19-11-10-18-23(24)25-28-30-31(29-25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H
InChIKeyHGYGKXXVTVKEPI-UHFFFAOYSA-N
XLogP5.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.92
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 5-(2-chlorophenyl)-2-trityltetrazole 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

5-(5-methyl-2-phenylphenyl)-2-trityltetrazole
CID 67300435
5-[2-(3-chloro-4-methoxyphenyl)-5-deuteriophenyl]-2-trityltetrazole
CID 175999795
5-[2-[4-(bromomethyl)-3-fluorophenyl]phenyl]-2-trityltetrazole
CID 67921408
5-(2-phenylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
CID 10640908
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
N-[[4-[2-(2-trityltetrazol-5-yl)phenyl]phenyl]methyl]pyridin-2-amine
CID 139605876
2-trityltetrazol-5-amine
CID 151368620
2-[3-(2-trityltetrazol-5-yl)phenyl]benzonitrile
CID 139686025
5-[2-[4-[(4-butylimidazol-1-yl)methyl]phenyl]phenyl]-2-trityltetrazole
CID 10054317
4-(6-methyl-3-pyridinyl)-3-(2-trityltetrazol-5-yl)aniline
CID 170434132
5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
CID 10546069
5-(4-nitrophenyl)-2-trityltetrazole
CID 12035042

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-2-trityltetrazole?
The IUPAC name of 5-(2-chlorophenyl)-2-trityltetrazole (CID 86055303) is 5-(2-chlorophenyl)-2-trityltetrazole.
What is the SMILES notation for 5-(2-chlorophenyl)-2-trityltetrazole?
The canonical SMILES for 5-(2-chlorophenyl)-2-trityltetrazole is Clc1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 5-(2-chlorophenyl)-2-trityltetrazole?
The InChIKey is HGYGKXXVTVKEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN4/c27-24-19-11-10-18-23(24)25-28-30-31(29-25)26(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19H.
What are the key properties of 5-(2-chlorophenyl)-2-trityltetrazole?
5-(2-chlorophenyl)-2-trityltetrazole has a molecular weight of 422.92 g/mol, XLogP of 5.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-2-trityltetrazole is sourced from PubChem (CID 86055303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).