1-(3-nitrophenyl)-3-phenylbenzene

C18H13NO2 — CID 12623202

IUPAC1-(3-nitrophenyl)-3-phenylbenzene
SMILESO=[N+]([O-])c1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C18H13NO2/c20-19(21)18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13H
InChIKeySPVIVESTWZDPPY-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.93
Rot. Bonds3

About 1-(3-nitrophenyl)-3-phenylbenzene

1-(3-nitrophenyl)-3-phenylbenzene (PubChem CID 12623202) has the molecular formula C18H13NO2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 1-(3-nitrophenyl)-3-phenylbenzene.

Molecular Properties

Compound Name1-(3-nitrophenyl)-3-phenylbenzene
PubChem CID12623202
Molecular FormulaC18H13NO2
Molecular Weight275.31 g/mol
Exact Mass275.09
IUPAC Name1-(3-nitrophenyl)-3-phenylbenzene
SMILESO=[N+]([O-])c1cccc(-c2cccc(-c3ccccc3)c2)c1
InChIInChI=1S/C18H13NO2/c20-19(21)18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13H
InChIKeySPVIVESTWZDPPY-UHFFFAOYSA-N
XLogP4.93
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formic acid;1-nitro-3-phenylbenzene
CID 158057338
CID 66849213
CID 66849213
iodo hydrogen sulfate;1-nitro-3-phenylbenzene
CID 174702037
1-(4-tert-butylphenyl)-3-nitrobenzene
CID 67097835
1-[4-(3-nitrophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039214
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 54368698
2-[4-(3-nitrophenyl)phenyl]acetic acid
CID 82039210
N-[4-(3-nitrophenyl)phenyl]benzamide
CID 173440643
1-[3-(3-nitrophenyl)phenyl]-3-phenylurea
CID 110446797

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitrophenyl)-3-phenylbenzene?
The IUPAC name of 1-(3-nitrophenyl)-3-phenylbenzene (CID 12623202) is 1-(3-nitrophenyl)-3-phenylbenzene.
What is the SMILES notation for 1-(3-nitrophenyl)-3-phenylbenzene?
The canonical SMILES for 1-(3-nitrophenyl)-3-phenylbenzene is O=[N+]([O-])c1cccc(-c2cccc(-c3ccccc3)c2)c1.
What is the InChIKey of 1-(3-nitrophenyl)-3-phenylbenzene?
The InChIKey is SPVIVESTWZDPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2/c20-19(21)18-11-5-10-17(13-18)16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-13H.
What are the key properties of 1-(3-nitrophenyl)-3-phenylbenzene?
1-(3-nitrophenyl)-3-phenylbenzene has a molecular weight of 275.31 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitrophenyl)-3-phenylbenzene is sourced from PubChem (CID 12623202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).