4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine

C24H18N2O2 — CID 154707199

IUPAC4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C24H18N2O2/c1-17-14-20(18-8-4-2-5-9-18)15-22(19-10-6-3-7-11-19)24(17)21-12-13-25-16-23(21)26(27)28/h2-16H,1H3
InChIKeyQIYRHYZPOGUFEK-UHFFFAOYSA-N
MW366.42 g/mol
LogP6.30
Rot. Bonds4

About 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine

4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine (PubChem CID 154707199) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine.

Molecular Properties

Compound Name4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine
PubChem CID154707199
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine
SMILESCc1cc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccncc1[N+](=O)[O-]
InChIInChI=1S/C24H18N2O2/c1-17-14-20(18-8-4-2-5-9-18)15-22(19-10-6-3-7-11-19)24(17)21-12-13-25-16-23(21)26(27)28/h2-16H,1H3
InChIKeyQIYRHYZPOGUFEK-UHFFFAOYSA-N
XLogP6.30
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 56.30
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

2-Nitrobenzo[f]quinoline
CID 254007
5-[1-(2,5-Dimethyl-3,6-dinitrophenyl)ethyl]-2-methylpyridine
CID 2865058
8-(3-Nitro-phenyl)-6-o-tolyl-[1,7]naphthyridine
CID 10545177
4-Benzyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium chloride
CID 16192945
2-(3-Nitrophenyl)-4-(4-phenylphenyl)-1,5-naphthyridine
CID 145972200
3-(4-Methylpiperazin-1-yl)-5-(3-nitrophenyl)quinoline
CID 50997645
3-Nitro-2-phenylpyridine
CID 2762787
N-benzyl-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 44475694
3-Nitro-2-(4-(trifluoromethyl)phenyl)pyridine
CID 121013147
2-[(4-Methylpiperidin-1-yl)methyl]-4-(4-nitrophenyl)pyridine
CID 172444322
4-Nitroisoquinoline
CID 11105846
Pyridine, 3-methyl-4-(4-nitrophenyl)-
CID 611794

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine?
The IUPAC name of 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine (CID 154707199) is 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine.
What is the SMILES notation for 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine?
The canonical SMILES for 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine is Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1-c1ccncc1[N+](=O)[O-].
What is the InChIKey of 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine?
The InChIKey is QIYRHYZPOGUFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-17-14-20(18-8-4-2-5-9-18)15-22(19-10-6-3-7-11-19)24(17)21-12-13-25-16-23(21)26(27)28/h2-16H,1H3.
What are the key properties of 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine?
4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine has a molecular weight of 366.42 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4,6-diphenylphenyl)-3-nitropyridine is sourced from PubChem (CID 154707199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).