2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride

C25H21ClN4 — CID 86002969

IUPAC2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride
SMILES[Cl-].c1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)N(c3ccccc3)[NH2+]2)cc1
InChIInChI=1S/C25H20N4.ClH/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)29-27-25(22-12-6-2-7-13-22)26-28(29)23-14-8-3-9-15-23;/h1-19H,(H,26,27);1H
InChIKeyBJPKWXVZOANREC-UHFFFAOYSA-N
MW412.92 g/mol
LogP1.44
Rot. Bonds4

About 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride

2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride (PubChem CID 86002969) has the molecular formula C25H21ClN4 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride.

Molecular Properties

Compound Name2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride
PubChem CID86002969
Molecular FormulaC25H21ClN4
Molecular Weight412.92 g/mol
Exact Mass412.15
IUPAC Name2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride
SMILES[Cl-].c1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)N(c3ccccc3)[NH2+]2)cc1
InChIInChI=1S/C25H20N4.ClH/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)29-27-25(22-12-6-2-7-13-22)26-28(29)23-14-8-3-9-15-23;/h1-19H,(H,26,27);1H
InChIKeyBJPKWXVZOANREC-UHFFFAOYSA-N
XLogP1.44
TPSA35.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride 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

3-(2,6-dimethylphenyl)-2,5-diphenyl-1H-tetrazol-1-ium chloride
CID 57374562
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-1H-tetrazol-1-ium
CID 71403427
2-bromo-1,3-thiazole;2-(2,5-diphenyl-1H-tetrazol-1-ium-3-yl)-4,5-dimethyl-1,3-thiazole
CID 22392611
2,3-bis(4-methylphenyl)-1H-tetrazol-1-ium-5-carbonitrile chloride
CID 66842413
CID 53446764
CID 53446764
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
benzene;tris(1,1'-biphenyl)
CID 162155747
azane;4-phenylpyridine
CID 175775455
1-(4-phenylphenyl)aziridine
CID 152682568
1,3,5,5-tetraphenyl-4H-1,2,4-triazol-4-ium
CID 91589727
2,3,5-triphenyl-1H-tetrazole
CID 506591
1-chloro-2,3,5-triphenyltetrazole
CID 14854159

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride?
The IUPAC name of 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride (CID 86002969) is 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride.
What is the SMILES notation for 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride?
The canonical SMILES for 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride is [Cl-].c1ccc(C2=NN(c3ccc(-c4ccccc4)cc3)N(c3ccccc3)[NH2+]2)cc1.
What is the InChIKey of 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride?
The InChIKey is BJPKWXVZOANREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4.ClH/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)29-27-25(22-12-6-2-7-13-22)26-28(29)23-14-8-3-9-15-23;/h1-19H,(H,26,27);1H.
What are the key properties of 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride?
2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride has a molecular weight of 412.92 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-3-(4-phenylphenyl)-1H-tetrazol-1-ium chloride is sourced from PubChem (CID 86002969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).