2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium

C19H13IN5O2+ — CID 91582307

IUPAC2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium
SMILESO=[N+]([O-])c1ccc(-c2nnn(-c3ccc(I)cc3)[n+]2-c2ccccc2)cc1
InChIInChI=1S/C19H13IN5O2/c20-15-8-12-17(13-9-15)24-22-21-19(23(24)16-4-2-1-3-5-16)14-6-10-18(11-7-14)25(26)27/h1-13H/q+1
InChIKeyZMGCGFZCZZBTOS-UHFFFAOYSA-N
MW470.25 g/mol
LogP3.72
Rot. Bonds4

About 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium

2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium (PubChem CID 91582307) has the molecular formula C19H13IN5O2+ and a molecular weight of 470.25 g/mol. Its IUPAC name is 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium.

Molecular Properties

Compound Name2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium
PubChem CID91582307
Molecular FormulaC19H13IN5O2+
Molecular Weight470.25 g/mol
Exact Mass470.01
IUPAC Name2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium
SMILESO=[N+]([O-])c1ccc(-c2nnn(-c3ccc(I)cc3)[n+]2-c2ccccc2)cc1
InChIInChI=1S/C19H13IN5O2/c20-15-8-12-17(13-9-15)24-22-21-19(23(24)16-4-2-1-3-5-16)14-6-10-18(11-7-14)25(26)27/h1-13H/q+1
InChIKeyZMGCGFZCZZBTOS-UHFFFAOYSA-N
XLogP3.72
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.25
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium 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

1-naphthalen-1-yl-5-(4-nitrophenyl)-2-phenyltetrazol-1-ium chloride
CID 163958303
sodium 2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyltetrazol-3-ium
CID 23698811
6-(4-nitrophenyl)-4-oxido-3-phenyl-1,2,4-triazin-4-ium
CID 6409490
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
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-1H-tetrazol-1-ium
CID 71403427
3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole
CID 135518352
3-(4-iodophenyl)-2-(4-nitrophenyl)-1-phenyltetrazole
CID 54452353
3-(4-iodophenyl)-5-(4-nitrophenyl)-1H-pyrazole
CID 135421478
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
3-(4-iodophenyl)-4-(4-nitrophenyl)-1,2,4-oxadiazol-5-one
CID 177254344
3-(4-nitrophenyl)-1,4-dioxido-1,2,4-benzotriazine-1,4-diium
CID 177499364
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium?
The IUPAC name of 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium (CID 91582307) is 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium.
What is the SMILES notation for 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium?
The canonical SMILES for 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium is O=[N+]([O-])c1ccc(-c2nnn(-c3ccc(I)cc3)[n+]2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium?
The InChIKey is ZMGCGFZCZZBTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN5O2/c20-15-8-12-17(13-9-15)24-22-21-19(23(24)16-4-2-1-3-5-16)14-6-10-18(11-7-14)25(26)27/h1-13H/q+1.
What are the key properties of 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium?
2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium has a molecular weight of 470.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-5-(4-nitrophenyl)-1-phenyltetrazol-1-ium is sourced from PubChem (CID 91582307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).