2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane

C26H23N4+ — CID 158764972

IUPAC2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane
SMILESC.c1ccc(-c2cccc(-c3nn(-c4ccccc4)[n+](-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C25H19N4.CH4/c1-4-11-20(12-5-1)21-13-10-14-22(19-21)25-26-28(23-15-6-2-7-16-23)29(27-25)24-17-8-3-9-18-24;/h1-19H;1H4/q+1;
InChIKeyIPDHMWRRQZNZRE-UHFFFAOYSA-N
MW391.50 g/mol
LogP5.51
Rot. Bonds4

About 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane

2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane (PubChem CID 158764972) has the molecular formula C26H23N4+ and a molecular weight of 391.50 g/mol. Its IUPAC name is 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane.

Molecular Properties

Compound Name2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane
PubChem CID158764972
Molecular FormulaC26H23N4+
Molecular Weight391.50 g/mol
Exact Mass391.19
IUPAC Name2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane
SMILESC.c1ccc(-c2cccc(-c3nn(-c4ccccc4)[n+](-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C25H19N4.CH4/c1-4-11-20(12-5-1)21-13-10-14-22(19-21)25-26-28(23-15-6-2-7-16-23)29(27-25)24-17-8-3-9-18-24;/h1-19H;1H4/q+1;
InChIKeyIPDHMWRRQZNZRE-UHFFFAOYSA-N
XLogP5.51
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.50
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane 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

2,3,5-triphenyltetrazol-2-ium;chloride;hydrate
CID 23288416
dichloromethane;2,3,5-triphenyltetrazol-2-ium;chloride
CID 155317226
2,3-diphenyl-5-thiophen-3-yltetrazol-2-ium
CID 22950688
2,3-bis(4-ethylphenyl)-5-phenyltetrazol-2-ium
CID 44630123
2,3-diphenyl-5-thiophen-2-yltetrazol-2-ium
CID 563279
5-methyl-2,3-diphenyltetrazol-2-ium chloride
CID 13010650
2-[3-[4-(3,5-diphenyltetrazol-3-ium-2-yl)-2-methoxyphenyl]-4-methoxyphenyl]-3,5-diphenyltetrazol-3-ium dichloride
CID 44888661
2-(4-methylphenyl)-3-(4-nitrosophenyl)-5-phenyltetrazol-2-ium
CID 155701941
carbanide;2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-3-ium;2-naphthalen-1-yl-3,5-diphenyltetrazol-2-ium;2-naphthalen-1-yl-3-(4-nitrophenyl)-5-phenyltetrazol-2-ium;2,3,5-triphenyltetrazol-2-ium
CID 161230640
5-butyl-2,3-diphenyltetrazol-2-ium
CID 2916216
2,4-diphenyl-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 121311668
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane?
The IUPAC name of 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane (CID 158764972) is 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane.
What is the SMILES notation for 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane?
The canonical SMILES for 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane is C.c1ccc(-c2cccc(-c3nn(-c4ccccc4)[n+](-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane?
The InChIKey is IPDHMWRRQZNZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N4.CH4/c1-4-11-20(12-5-1)21-13-10-14-22(19-21)25-26-28(23-15-6-2-7-16-23)29(27-25)24-17-8-3-9-18-24;/h1-19H;1H4/q+1;.
What are the key properties of 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane?
2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane has a molecular weight of 391.50 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-(3-phenylphenyl)tetrazol-2-ium;methane is sourced from PubChem (CID 158764972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).