1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine

C24H17N5O6 — CID 54248221

IUPAC1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2N(Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H17N5O6/c30-27(31)19-15-22(28(32)33)24(23(16-19)29(34)35)20-13-7-8-14-21(20)26(18-11-5-2-6-12-18)25-17-9-3-1-4-10-17/h1-16,25H
InChIKeyQUVMROKCZBMCDH-UHFFFAOYSA-N
MW471.43 g/mol
LogP6.24
Rot. Bonds8

About 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine

1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine (PubChem CID 54248221) has the molecular formula C24H17N5O6 and a molecular weight of 471.43 g/mol. Its IUPAC name is 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine.

Molecular Properties

Compound Name1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine
PubChem CID54248221
Molecular FormulaC24H17N5O6
Molecular Weight471.43 g/mol
Exact Mass471.12
IUPAC Name1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2N(Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H17N5O6/c30-27(31)19-15-22(28(32)33)24(23(16-19)29(34)35)20-13-7-8-14-21(20)26(18-11-5-2-6-12-18)25-17-9-3-1-4-10-17/h1-16,25H
InChIKeyQUVMROKCZBMCDH-UHFFFAOYSA-N
XLogP6.24
TPSA144.69 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.43
LogP ≤ 56.24
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-(3-nitrophenyl)-1,1-diphenylhydrazine
CID 155797950
1,5-bis(2,4,6-trinitrophenyl)naphthalene
CID 102507077
1-phenyl-1-(1,3-thiazol-2-yl)-2-(2,4,6-trinitrophenyl)hydrazine
CID 23118903
1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
CID 172790717
2-(2-nitrophenyl)-1,1-diphenylhydrazine
CID 23118944
2,4-dinitro-N',N'-diphenylbenzohydrazide
CID 56698403
1-(1,3-benzoxazol-2-yl)-1-phenyl-2-(2,4,6-trinitrophenyl)hydrazine
CID 87086050
2-(4-methyl-2,6-dinitrophenyl)-1,1-diphenylhydrazine
CID 22895095
N-ethylaniline;2,4,6-trinitrophenol
CID 121004377
2,5,7-trinitro-9-oxo-N-phenylfluorene-4-carboxamide
CID 2775590
benzene;2-chloro-1,3,5-trinitrobenzene
CID 160949015
carbonic acid;1,1,2-triphenylhydrazine
CID 160785821

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine?
The IUPAC name of 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine (CID 54248221) is 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine.
What is the SMILES notation for 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine?
The canonical SMILES for 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine is O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2ccccc2N(Nc2ccccc2)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine?
The InChIKey is QUVMROKCZBMCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O6/c30-27(31)19-15-22(28(32)33)24(23(16-19)29(34)35)20-13-7-8-14-21(20)26(18-11-5-2-6-12-18)25-17-9-3-1-4-10-17/h1-16,25H.
What are the key properties of 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine?
1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine has a molecular weight of 471.43 g/mol, XLogP of 6.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine is sourced from PubChem (CID 54248221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).