5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole

C22H16N2O2 — CID 102369150

IUPAC5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole
SMILESO=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C22H16N2O2/c25-24(26)19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)22(23-21)17-10-5-2-6-11-17/h1-15,23H
InChIKeyHXUUWOXNWUMJRE-UHFFFAOYSA-N
MW340.38 g/mol
LogP5.92
Rot. Bonds4

About 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole

5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole (PubChem CID 102369150) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole.

Molecular Properties

Compound Name5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole
PubChem CID102369150
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole
SMILESO=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1
InChIInChI=1S/C22H16N2O2/c25-24(26)19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)22(23-21)17-10-5-2-6-11-17/h1-15,23H
InChIKeyHXUUWOXNWUMJRE-UHFFFAOYSA-N
XLogP5.92
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.38
LogP ≤ 55.92
H-Bond Donors ≤ 51
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-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formic acid;1-nitro-3-phenylbenzene
CID 158057338
4,6-bis(3-nitrophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 19656735
2-(3-nitrophenyl)-1H-imidazo[1,2-a]pyridin-4-ium
CID 4290496
3-(hydroxymethyl)-6-(3-nitrophenyl)-1H-pyridin-2-one
CID 82517149
CID 66849213
CID 66849213
6-(3-nitrophenyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 106515706
iodo hydrogen sulfate;1-nitro-3-phenylbenzene
CID 174702037
2-methoxy-3-(3-nitrophenyl)benzaldehyde;2-methoxy-3-phenylbenzaldehyde
CID 160754801
2-(bromomethyl)-4-nitro-1-phenylbenzene
CID 14317417
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole?
The IUPAC name of 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole (CID 102369150) is 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole.
What is the SMILES notation for 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole?
The canonical SMILES for 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole is O=[N+]([O-])c1cccc(-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1.
What is the InChIKey of 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole?
The InChIKey is HXUUWOXNWUMJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c25-24(26)19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)22(23-21)17-10-5-2-6-11-17/h1-15,23H.
What are the key properties of 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole?
5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole has a molecular weight of 340.38 g/mol, XLogP of 5.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-2,3-diphenyl-1H-pyrrole is sourced from PubChem (CID 102369150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).