5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole

C21H15N5O2 — CID 122207433

IUPAC5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole
SMILESO=[N+]([O-])c1ccc(-n2nnnc2C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H15N5O2/c27-26(28)19-13-11-18(12-14-19)25-21(22-23-24-25)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15H
InChIKeyZDYLZHZHZZVPHA-UHFFFAOYSA-N
MW369.38 g/mol
LogP4.16
Rot. Bonds5

About 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole

5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole (PubChem CID 122207433) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole.

Molecular Properties

Compound Name5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole
PubChem CID122207433
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole
SMILESO=[N+]([O-])c1ccc(-n2nnnc2C=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H15N5O2/c27-26(28)19-13-11-18(12-14-19)25-21(22-23-24-25)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15H
InChIKeyZDYLZHZHZZVPHA-UHFFFAOYSA-N
XLogP4.16
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole
CID 122207425
4-[5-[1-(4-nitrophenyl)tetrazol-5-yl]tetrazol-1-yl]aniline
CID 57134720
1-(4-nitrophenyl)-5-[(2S)-3-phenyl-2H-azirin-2-yl]tetrazole
CID 154719238
5-(2-bromophenyl)-1-(4-nitrophenyl)tetrazole
CID 19935790
2-[1-(4-nitrophenyl)tetrazol-5-yl]acetamide
CID 3054060
1-[(E)-2-(4-bromophenyl)-2-phenylethenyl]-4-nitrobenzene
CID 67496997
5-ethenyl-1-phenyltetrazole
CID 12753529
1-(4-chlorophenyl)-2-(4-nitrophenyl)-2-(1-phenyltetrazol-5-yl)sulfanylethanone
CID 2883326
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 2817361
[3,5-dimethyl-1-(4-nitrophenyl)pyrazol-4-yl]-phenylmethanone
CID 10734536
N-[1-[1-(4-nitrophenyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085127
5-[(3,5-dinitrophenyl)methylsulfanyl]-1-(4-nitrophenyl)tetrazole
CID 90683173

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole?
The IUPAC name of 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole (CID 122207433) is 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole.
What is the SMILES notation for 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole?
The canonical SMILES for 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole is O=[N+]([O-])c1ccc(-n2nnnc2C=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole?
The InChIKey is ZDYLZHZHZZVPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c27-26(28)19-13-11-18(12-14-19)25-21(22-23-24-25)15-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15H.
What are the key properties of 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole?
5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole has a molecular weight of 369.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylethenyl)-1-(4-nitrophenyl)tetrazole is sourced from PubChem (CID 122207433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).