4-(4-nitrophenyl)-2,6-diphenylpyridine

C23H16N2O2 — CID 631783

IUPAC4-(4-nitrophenyl)-2,6-diphenylpyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H16N2O2/c26-25(27)21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)24-23(16-20)19-9-5-2-6-10-19/h1-16H
InChIKeyDUUHRLJSNIXIHI-UHFFFAOYSA-N
MW352.39 g/mol
LogP5.99
Rot. Bonds4

About 4-(4-nitrophenyl)-2,6-diphenylpyridine

4-(4-nitrophenyl)-2,6-diphenylpyridine (PubChem CID 631783) has the molecular formula C23H16N2O2 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-(4-nitrophenyl)-2,6-diphenylpyridine.

Molecular Properties

Compound Name4-(4-nitrophenyl)-2,6-diphenylpyridine
PubChem CID631783
Molecular FormulaC23H16N2O2
Molecular Weight352.39 g/mol
Exact Mass352.12
IUPAC Name4-(4-nitrophenyl)-2,6-diphenylpyridine
SMILESO=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1
InChIInChI=1S/C23H16N2O2/c26-25(27)21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)24-23(16-20)19-9-5-2-6-10-19/h1-16H
InChIKeyDUUHRLJSNIXIHI-UHFFFAOYSA-N
XLogP5.99
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.39
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

4-[2,6-bis(4-nitrophenyl)-4-pyridinyl]phenol
CID 141380710
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316
4-[6-[4-(dimethylamino)phenyl]-4-(4-nitrophenyl)-2-pyridinyl]-N,N-dimethylaniline
CID 19421082
bis(4-[4-[3-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]phenyl]phenyl]-2,6-bis(4-phenylphenyl)pyridine);2-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenylpyridine;4-[4-[4-[3-[4-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]phenyl]phenyl]-2,6-diphenylpyridine
CID 161135007
formaldehyde;bis(1-nitro-4-phenylbenzene)
CID 174842779
4-[3,5-bis(4-phenylphenyl)phenyl]-2,6-diphenylpyridine
CID 58943272
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]phenyl]-4,6-diphenylpyridine
CID 58943331
2,4-diphenyl-6-[4-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]pyridine
CID 58943632
4-[6-(4-fluorophenyl)-4-(4-nitrophenyl)-2-pyridinyl]phenol
CID 135409815
bis(1-nitro-4-phenylbenzene);sulfur dioxide
CID 174751271
2-nitro-7-phenylanthracene
CID 54232737
2-phenyl-4,6-bis[3-phenyl-5-(4-phenylphenyl)phenyl]pyridine
CID 121311684

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrophenyl)-2,6-diphenylpyridine?
The IUPAC name of 4-(4-nitrophenyl)-2,6-diphenylpyridine (CID 631783) is 4-(4-nitrophenyl)-2,6-diphenylpyridine.
What is the SMILES notation for 4-(4-nitrophenyl)-2,6-diphenylpyridine?
The canonical SMILES for 4-(4-nitrophenyl)-2,6-diphenylpyridine is O=[N+]([O-])c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1.
What is the InChIKey of 4-(4-nitrophenyl)-2,6-diphenylpyridine?
The InChIKey is DUUHRLJSNIXIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2/c26-25(27)21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)24-23(16-20)19-9-5-2-6-10-19/h1-16H.
What are the key properties of 4-(4-nitrophenyl)-2,6-diphenylpyridine?
4-(4-nitrophenyl)-2,6-diphenylpyridine has a molecular weight of 352.39 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrophenyl)-2,6-diphenylpyridine is sourced from PubChem (CID 631783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).