4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene

C24H16N2O6S — CID 141390803

IUPAC4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)c(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2ccccc2)c1
InChIInChI=1S/C24H16N2O6S/c27-25(28)19-11-13-21(17-7-3-1-4-8-17)23(15-19)33(31,32)24-16-20(26(29)30)12-14-22(24)18-9-5-2-6-10-18/h1-16H
InChIKeyXLOXUITXXUHTBA-UHFFFAOYSA-N
MW460.47 g/mol
LogP5.67
Rot. Bonds6

About 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene

4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene (PubChem CID 141390803) has the molecular formula C24H16N2O6S and a molecular weight of 460.47 g/mol. Its IUPAC name is 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene.

Molecular Properties

Compound Name4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
PubChem CID141390803
Molecular FormulaC24H16N2O6S
Molecular Weight460.47 g/mol
Exact Mass460.07
IUPAC Name4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2)c(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2ccccc2)c1
InChIInChI=1S/C24H16N2O6S/c27-25(28)19-11-13-21(17-7-3-1-4-8-17)23(15-19)33(31,32)24-16-20(26(29)30)12-14-22(24)18-9-5-2-6-10-18/h1-16H
InChIKeyXLOXUITXXUHTBA-UHFFFAOYSA-N
XLogP5.67
TPSA120.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.47
LogP ≤ 55.67
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-nitro-2-phenylbenzenesulfonyl chloride
CID 87546258
2-(bromomethyl)-4-nitro-1-phenylbenzene
CID 14317417
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CID 70376187
4-nitro-1-phenyl-2-(2-phenylethynyl)benzene
CID 11197319
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
5-nitro-2-phenylbenzoyl chloride
CID 21406523
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-[(5-nitro-2-phenylphenyl)methyl]pyrrolidine
CID 101448759
2-nitro-7-phenylanthracene
CID 54232737
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
2-(4-methylphenyl)sulfonyl-4-phenyl-1-[4-(4-phenylphenyl)phenyl]benzene
CID 102599504

Frequently Asked Questions

What is the IUPAC name of 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene?
The IUPAC name of 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene (CID 141390803) is 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene.
What is the SMILES notation for 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene?
The canonical SMILES for 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene is O=[N+]([O-])c1ccc(-c2ccccc2)c(S(=O)(=O)c2cc([N+](=O)[O-])ccc2-c2ccccc2)c1.
What is the InChIKey of 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene?
The InChIKey is XLOXUITXXUHTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O6S/c27-25(28)19-11-13-21(17-7-3-1-4-8-17)23(15-19)33(31,32)24-16-20(26(29)30)12-14-22(24)18-9-5-2-6-10-18/h1-16H.
What are the key properties of 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene?
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene has a molecular weight of 460.47 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene is sourced from PubChem (CID 141390803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).