3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole

C19H14IN5O2 — CID 135518352

IUPAC3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole
SMILESO=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccc(I)cc2)cc1
InChIInChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27/h1-13H,(H,21,22)
InChIKeyIDRHRIHJNRTYHD-UHFFFAOYSA-N
MW471.26 g/mol
LogP4.31
Rot. Bonds4

About 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole

3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole (PubChem CID 135518352) has the molecular formula C19H14IN5O2 and a molecular weight of 471.26 g/mol. Its IUPAC name is 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole.

Molecular Properties

Compound Name3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole
PubChem CID135518352
Molecular FormulaC19H14IN5O2
Molecular Weight471.26 g/mol
Exact Mass471.02
IUPAC Name3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole
SMILESO=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccc(I)cc2)cc1
InChIInChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27/h1-13H,(H,21,22)
InChIKeyIDRHRIHJNRTYHD-UHFFFAOYSA-N
XLogP4.31
TPSA74.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.26
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

2-(4-nitrophenyl)-3,5-diphenyl-1H-tetrazole;hydrochloride
CID 171375760
2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole
CID 88842181
2-(1-benzothiophen-2-yl)-3-(4-nitrophenyl)-5-phenyl-1H-tetrazole;hydrobromide
CID 173024149
2-(4-iodophenyl)-3-(4-nitrophenyl)-5-phenyl-1H-tetrazol-1-ium
CID 71403427
5-(2,4-dinitrophenyl)-2,3-diphenyl-1H-tetrazole
CID 19772917
2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride
CID 171375722
2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-tetrazol-2-yl]-1,3-benzothiazole
CID 19784976
2-[3-(4-nitrophenyl)-5-phenyl-1H-tetrazol-2-yl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 87582799
3-(4-iodophenyl)-2-(4-nitrophenyl)-1-phenyltetrazole
CID 54452353
5-(4-bromophenyl)-3-phenyl-2-(2,4,6-trinitrophenyl)-1H-tetrazole;hydrochloride
CID 173444972
2,2-diethyl-3-hexyl-3-sulfobutanedioic acid;tris(4-[5-(4-nitrophenyl)-3-phenyl-1H-tetrazol-2-yl]phenol)
CID 173440726
1-[4-[2-(2-chloro-5-nitrophenyl)-5-(3-nitrophenyl)-1H-tetrazol-3-yl]phenyl]ethanone
CID 88844702

Frequently Asked Questions

What is the IUPAC name of 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole?
The IUPAC name of 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole (CID 135518352) is 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole.
What is the SMILES notation for 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole?
The canonical SMILES for 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole is O=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccc(I)cc2)cc1.
What is the InChIKey of 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole?
The InChIKey is IDRHRIHJNRTYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14IN5O2/c20-15-6-8-16(9-7-15)23-21-19(14-4-2-1-3-5-14)22-24(23)17-10-12-18(13-11-17)25(26)27/h1-13H,(H,21,22).
What are the key properties of 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole?
3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole has a molecular weight of 471.26 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole is sourced from PubChem (CID 135518352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).