2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole

C19H14N6O4 — CID 88842181

IUPAC2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole
SMILESO=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14N6O4/c26-24(27)16-11-12-17(18(13-16)25(28)29)23-21-19(14-7-3-1-4-8-14)20-22(23)15-9-5-2-6-10-15/h1-13H,(H,20,21)
InChIKeyXLXSHDOFQARJDL-UHFFFAOYSA-N
MW390.36 g/mol
LogP3.61
Rot. Bonds5

About 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole

2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole (PubChem CID 88842181) has the molecular formula C19H14N6O4 and a molecular weight of 390.36 g/mol. Its IUPAC name is 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole.

Molecular Properties

Compound Name2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole
PubChem CID88842181
Molecular FormulaC19H14N6O4
Molecular Weight390.36 g/mol
Exact Mass390.11
IUPAC Name2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole
SMILESO=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H14N6O4/c26-24(27)16-11-12-17(18(13-16)25(28)29)23-21-19(14-7-3-1-4-8-14)20-22(23)15-9-5-2-6-10-15/h1-13H,(H,20,21)
InChIKeyXLXSHDOFQARJDL-UHFFFAOYSA-N
XLogP3.61
TPSA117.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.36
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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
5-(2,4-dinitrophenyl)-2,3-diphenyl-1H-tetrazole
CID 19772917
5-(4-bromophenyl)-3-phenyl-2-(2,4,6-trinitrophenyl)-1H-tetrazole;hydrochloride
CID 173444972
3-(4-iodophenyl)-2-(4-nitrophenyl)-5-phenyl-1H-tetrazole
CID 135518352
2-[3-(4-nitrophenyl)-5-phenyl-1H-tetrazol-2-yl]-5-[(4-sulfophenyl)diazenyl]benzenesulfonic acid
CID 87582799
2-(1-benzothiophen-2-yl)-3-(4-nitrophenyl)-5-phenyl-1H-tetrazole;hydrobromide
CID 173024149
1-(2,4-dinitrophenyl)-5-phenyl-3-(4-phenylphenyl)pyrazole
CID 23583323
1-[4-[2-(2-chloro-5-nitrophenyl)-5-(3-nitrophenyl)-1H-tetrazol-3-yl]phenyl]ethanone
CID 88844702
1-(2,4-dinitrophenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
CID 3857701
2-[5-(4-chlorophenyl)-3-(4-nitrophenyl)-1H-tetrazol-2-yl]-1,3-benzothiazole
CID 19784976
2-(3,5-diphenyl-1H-tetrazol-2-yl)-1,3,5-triazine
CID 19911238
2,3-bis(4-methylphenyl)-5-phenyl-1H-tetrazole;hydrochloride
CID 171375722

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole?
The IUPAC name of 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole (CID 88842181) is 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole.
What is the SMILES notation for 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole?
The canonical SMILES for 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole is O=[N+]([O-])c1ccc(N2NC(c3ccccc3)=NN2c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole?
The InChIKey is XLXSHDOFQARJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O4/c26-24(27)16-11-12-17(18(13-16)25(28)29)23-21-19(14-7-3-1-4-8-14)20-22(23)15-9-5-2-6-10-15/h1-13H,(H,20,21).
What are the key properties of 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole?
2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole has a molecular weight of 390.36 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dinitrophenyl)-3,5-diphenyl-1H-tetrazole is sourced from PubChem (CID 88842181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).