5-anthracen-9-yl-2-phenyltetrazole

C21H14N4 — CID 171524251

IUPAC5-anthracen-9-yl-2-phenyltetrazole
SMILESc1ccc(-n2nnc(-c3c4ccccc4cc4ccccc34)n2)cc1
InChIInChI=1S/C21H14N4/c1-2-10-17(11-3-1)25-23-21(22-24-25)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h1-14H
InChIKeyRZXIGTYUXGXODJ-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.64
Rot. Bonds2

About 5-anthracen-9-yl-2-phenyltetrazole

5-anthracen-9-yl-2-phenyltetrazole (PubChem CID 171524251) has the molecular formula C21H14N4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 5-anthracen-9-yl-2-phenyltetrazole.

Molecular Properties

Compound Name5-anthracen-9-yl-2-phenyltetrazole
PubChem CID171524251
Molecular FormulaC21H14N4
Molecular Weight322.37 g/mol
Exact Mass322.12
IUPAC Name5-anthracen-9-yl-2-phenyltetrazole
SMILESc1ccc(-n2nnc(-c3c4ccccc4cc4ccccc34)n2)cc1
InChIInChI=1S/C21H14N4/c1-2-10-17(11-3-1)25-23-21(22-24-25)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h1-14H
InChIKeyRZXIGTYUXGXODJ-UHFFFAOYSA-N
XLogP4.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 5-anthracen-9-yl-2-phenyltetrazole 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

Triphenyltetrazolium chloride
CID 9283
2,3,5-Triphenyltetrazolium
CID 9284
2,3,5-Triphenyltetrazolium bromide
CID 101965
Tetrazolium Violet
CID 74395
2,3-Diphenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CID 9953409
Tetrazolium violet(1+)
CID 74396
2-(3-Fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-3-ium chloride
CID 44456047
2-(2-Fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CID 44456082
2-(4-Fluorophenyl)-5-naphthalen-1-yl-3-phenyltetrazol-2-ium chloride
CID 44456119
2-(4-Fluorophenyl)-3-phenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CID 44456163
5-Naphthalen-1-yl-2,3-diphenyltetrazol-2-ium chloride
CID 44456242
2,5-Diphenyl-3-(4-styrylphenyl)tetrazolium Chloride
CID 9932775

Frequently Asked Questions

What is the IUPAC name of 5-anthracen-9-yl-2-phenyltetrazole?
The IUPAC name of 5-anthracen-9-yl-2-phenyltetrazole (CID 171524251) is 5-anthracen-9-yl-2-phenyltetrazole.
What is the SMILES notation for 5-anthracen-9-yl-2-phenyltetrazole?
The canonical SMILES for 5-anthracen-9-yl-2-phenyltetrazole is c1ccc(-n2nnc(-c3c4ccccc4cc4ccccc34)n2)cc1.
What is the InChIKey of 5-anthracen-9-yl-2-phenyltetrazole?
The InChIKey is RZXIGTYUXGXODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4/c1-2-10-17(11-3-1)25-23-21(22-24-25)20-18-12-6-4-8-15(18)14-16-9-5-7-13-19(16)20/h1-14H.
What are the key properties of 5-anthracen-9-yl-2-phenyltetrazole?
5-anthracen-9-yl-2-phenyltetrazole has a molecular weight of 322.37 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anthracen-9-yl-2-phenyltetrazole is sourced from PubChem (CID 171524251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).