1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene

C24H14N4O9 — CID 139793344

IUPAC1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2Oc2ccccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C24H14N4O9/c29-25(30)15-9-11-17(21(13-15)27(33)34)19-5-1-3-7-23(19)37-24-8-4-2-6-20(24)18-12-10-16(26(31)32)14-22(18)28(35)36/h1-14H
InChIKeyLMFOZUXFQSULQH-UHFFFAOYSA-N
MW502.40 g/mol
LogP6.45
Rot. Bonds8

About 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene

1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene (PubChem CID 139793344) has the molecular formula C24H14N4O9 and a molecular weight of 502.40 g/mol. Its IUPAC name is 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene.

Molecular Properties

Compound Name1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
PubChem CID139793344
Molecular FormulaC24H14N4O9
Molecular Weight502.40 g/mol
Exact Mass502.08
IUPAC Name1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2Oc2ccccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C24H14N4O9/c29-25(30)15-9-11-17(21(13-15)27(33)34)19-5-1-3-7-23(19)37-24-8-4-2-6-20(24)18-12-10-16(26(31)32)14-22(18)28(35)36/h1-14H
InChIKeyLMFOZUXFQSULQH-UHFFFAOYSA-N
XLogP6.45
TPSA181.79 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.40
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

1-(2-fluorophenoxy)-2,4-dinitrobenzene
CID 9212888
2-(2,4-dinitrophenyl)benzenecarbothioic S-acid
CID 90765471
2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648
3-(2,4-dinitrophenoxy)benzene-1,2-diol
CID 174671523
1,4-bis(2,4-dinitrophenoxy)-2,3-dimethylbenzene
CID 141163009
2,4-diamino-6-[2-(2,4-dinitrophenoxy)phenyl]pyrimidine-5-carbonitrile
CID 169398114
1-(2-methoxyphenyl)-2-nitrobenzene
CID 818687
1-methyl-2-(2-methylphenoxy)-4-nitrobenzene
CID 141213326
4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
CID 57053685
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
1-(2-chlorophenyl)-2-methoxy-4-nitrobenzene
CID 134109564
5-(2,4-dinitrophenyl)-3-phenyl-1,2,4-oxadiazole
CID 8895310

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene?
The IUPAC name of 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene (CID 139793344) is 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene.
What is the SMILES notation for 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene?
The canonical SMILES for 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene is O=[N+]([O-])c1ccc(-c2ccccc2Oc2ccccc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene?
The InChIKey is LMFOZUXFQSULQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O9/c29-25(30)15-9-11-17(21(13-15)27(33)34)19-5-1-3-7-23(19)37-24-8-4-2-6-20(24)18-12-10-16(26(31)32)14-22(18)28(35)36/h1-14H.
What are the key properties of 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene?
1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene has a molecular weight of 502.40 g/mol, XLogP of 6.45, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene is sourced from PubChem (CID 139793344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).