3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine

C27H18N4O2 — CID 102423646

IUPAC3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccccn4)nc3-c3ccccn3)cc2)cc1
InChIInChI=1S/C27H18N4O2/c32-31(33)22-13-11-20(12-14-22)19-7-9-21(10-8-19)23-15-16-25(24-5-1-3-17-28-24)30-27(23)26-6-2-4-18-29-26/h1-18H
InChIKeyVFMUXLDUMUASPO-UHFFFAOYSA-N
MW430.47 g/mol
LogP6.45
Rot. Bonds5

About 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine

3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine (PubChem CID 102423646) has the molecular formula C27H18N4O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine.

Molecular Properties

Compound Name3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine
PubChem CID102423646
Molecular FormulaC27H18N4O2
Molecular Weight430.47 g/mol
Exact Mass430.14
IUPAC Name3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccccn4)nc3-c3ccccn3)cc2)cc1
InChIInChI=1S/C27H18N4O2/c32-31(33)22-13-11-20(12-14-22)19-7-9-21(10-8-19)23-15-16-25(24-5-1-3-17-28-24)30-27(23)26-6-2-4-18-29-26/h1-18H
InChIKeyVFMUXLDUMUASPO-UHFFFAOYSA-N
XLogP6.45
TPSA81.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(4-nitrophenyl)-6-pyridin-2-ylpyridine-2-carboxylic acid
CID 141347626
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
6-[4-(4-nitrophenyl)-6-pyridin-2-yl-2-pyridinyl]pyridine-2-carbonitrile
CID 21195130
6-[4-[5,6-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]-2-pyridinyl]phenyl]-2,3-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]pyridine
CID 102119694
5-(4-nitrophenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 867097
5-methyl-4-(4-nitrophenyl)-2-pyridin-2-yl-1,3-thiazole
CID 58200580
copper;2-pyridin-2-ylpyridine;dinitrate;trihydrate
CID 173290754
5-(3-nitrophenyl)-4-pyridin-2-ylpyrimidin-2-amine
CID 91398479
nickel(2+);2-pyridin-2-ylpyridine;nitrate
CID 22572268
2-(7-nitro-9,9-dioctylfluoren-2-yl)-6-pyridin-2-ylpyridine
CID 102098891
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
1-(4-nitrophenyl)-2-[2-[2-[2-(4-nitrophenyl)phenyl]phenyl]phenyl]benzene
CID 102592061

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The IUPAC name of 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine (CID 102423646) is 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine.
What is the SMILES notation for 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The canonical SMILES for 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine is O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccccn4)nc3-c3ccccn3)cc2)cc1.
What is the InChIKey of 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
The InChIKey is VFMUXLDUMUASPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H18N4O2/c32-31(33)22-13-11-20(12-14-22)19-7-9-21(10-8-19)23-15-16-25(24-5-1-3-17-28-24)30-27(23)26-6-2-4-18-29-26/h1-18H.
What are the key properties of 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine?
3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine has a molecular weight of 430.47 g/mol, XLogP of 6.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-nitrophenyl)phenyl]-2,6-dipyridin-2-ylpyridine is sourced from PubChem (CID 102423646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).