1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine

C24H14N8O12 — CID 172790717

IUPAC1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(N(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H14N8O12/c33-27(34)17-11-19(29(37)38)23(20(12-17)30(39)40)26(25(15-7-3-1-4-8-15)16-9-5-2-6-10-16)24-21(31(41)42)13-18(28(35)36)14-22(24)32(43)44/h1-14H
InChIKeyPNLWPJAXPHWSNG-UHFFFAOYSA-N
MW606.42 g/mol
LogP6.03
Rot. Bonds11

About 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine

1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine (PubChem CID 172790717) has the molecular formula C24H14N8O12 and a molecular weight of 606.42 g/mol. Its IUPAC name is 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine.

Molecular Properties

Compound Name1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
PubChem CID172790717
Molecular FormulaC24H14N8O12
Molecular Weight606.42 g/mol
Exact Mass606.07
IUPAC Name1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine
SMILESO=[N+]([O-])c1cc([N+](=O)[O-])c(N(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C24H14N8O12/c33-27(34)17-11-19(29(37)38)23(20(12-17)30(39)40)26(25(15-7-3-1-4-8-15)16-9-5-2-6-10-16)24-21(31(41)42)13-18(28(35)36)14-22(24)32(43)44/h1-14H
InChIKeyPNLWPJAXPHWSNG-UHFFFAOYSA-N
XLogP6.03
TPSA265.32 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.42
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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-dinitro-N-phenyl-N-prop-2-enyl-6-(trifluoromethyl)aniline
CID 88624844
1,2-dinitrobenzene;N,N-diphenylaniline
CID 174468566
benzene;2-chloro-1,3,5-trinitrobenzene
CID 160949015
1-methyl-1-(2,4,6-trinitrophenyl)hydrazine
CID 3335139
N-[(E)-(2,4-dinitrophenyl)methylideneamino]-N-phenylaniline
CID 139085698
1,2-diphenyl-1-[2-(2,4,6-trinitrophenyl)phenyl]hydrazine
CID 54248221
2,4-dinitro-N',N'-diphenylbenzohydrazide
CID 56698403
2,4,6-trinitrophenol;triphenyl(sulfanylidene)-λ5-phosphane
CID 87917711
N-[2-(2,4-dinitrophenyl)sulfanylethynyl]-N-phenylaniline
CID 13356213
N-methyl-N-(2,4,6-trinitrophenyl)nitramide;nitric acid
CID 88518271
2-chloro-1-(4-nitrophenyl)-1-phenylhydrazine
CID 88837156
N-methyl-4-nitro-N-phenylaniline
CID 11287619

Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine?
The IUPAC name of 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine (CID 172790717) is 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine.
What is the SMILES notation for 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine?
The canonical SMILES for 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine is O=[N+]([O-])c1cc([N+](=O)[O-])c(N(c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])N(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine?
The InChIKey is PNLWPJAXPHWSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N8O12/c33-27(34)17-11-19(29(37)38)23(20(12-17)30(39)40)26(25(15-7-3-1-4-8-15)16-9-5-2-6-10-16)24-21(31(41)42)13-18(28(35)36)14-22(24)32(43)44/h1-14H.
What are the key properties of 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine?
1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine has a molecular weight of 606.42 g/mol, XLogP of 6.03, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-2,2-bis(2,4,6-trinitrophenyl)hydrazine is sourced from PubChem (CID 172790717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).