4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene

C18H11N3O6 — CID 57053685

IUPAC4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
SMILESO=[N+]([O-])c1cccc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H11N3O6/c22-19(23)13-5-3-4-12(10-13)17-11-14(20(24)25)8-9-15(17)16-6-1-2-7-18(16)21(26)27/h1-11H
InChIKeyWMVWRPQOJGPBOQ-UHFFFAOYSA-N
MW365.30 g/mol
LogP4.75
Rot. Bonds5

About 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene

4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene (PubChem CID 57053685) has the molecular formula C18H11N3O6 and a molecular weight of 365.30 g/mol. Its IUPAC name is 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene.

Molecular Properties

Compound Name4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
PubChem CID57053685
Molecular FormulaC18H11N3O6
Molecular Weight365.30 g/mol
Exact Mass365.06
IUPAC Name4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene
SMILESO=[N+]([O-])c1cccc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2[N+](=O)[O-])c1
InChIInChI=1S/C18H11N3O6/c22-19(23)13-5-3-4-12(10-13)17-11-14(20(24)25)8-9-15(17)16-6-1-2-7-18(16)21(26)27/h1-11H
InChIKeyWMVWRPQOJGPBOQ-UHFFFAOYSA-N
XLogP4.75
TPSA129.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.30
LogP ≤ 54.75
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

1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1-(3-methylphenyl)-2-nitrobenzene
CID 12592509
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
1,4-dichloro-2-nitro-5-(3-nitrophenyl)benzene
CID 173315914
1-(3-bromophenyl)-2,4-dinitrobenzene
CID 174514177
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
3-nitro-4-(3-nitrophenyl)pyridine
CID 26793007
4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
1-[2-[2-(2,4-dinitrophenyl)phenoxy]phenyl]-2,4-dinitrobenzene
CID 139793344
1-(3-nitrophenyl)-9H-fluorene
CID 150413743
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
2-chloro-1-(2-chloro-5-nitrophenyl)-3-nitrobenzene
CID 171785769

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene?
The IUPAC name of 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene (CID 57053685) is 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene.
What is the SMILES notation for 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene?
The canonical SMILES for 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene is O=[N+]([O-])c1cccc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2[N+](=O)[O-])c1.
What is the InChIKey of 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene?
The InChIKey is WMVWRPQOJGPBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11N3O6/c22-19(23)13-5-3-4-12(10-13)17-11-14(20(24)25)8-9-15(17)16-6-1-2-7-18(16)21(26)27/h1-11H.
What are the key properties of 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene?
4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene has a molecular weight of 365.30 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1-(2-nitrophenyl)-2-(3-nitrophenyl)benzene is sourced from PubChem (CID 57053685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).