6-(2-isocyanophenyl)-2,3-diphenylpyridine

C24H16N2 — CID 59294441

IUPAC6-(2-isocyanophenyl)-2,3-diphenylpyridine
SMILES[C-]#[N+]c1ccccc1-c1ccc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C24H16N2/c1-25-22-15-9-8-14-21(22)23-17-16-20(18-10-4-2-5-11-18)24(26-23)19-12-6-3-7-13-19/h2-17H
InChIKeyYVZJXQJXGNIUPM-UHFFFAOYSA-N
MW332.41 g/mol
LogP6.63
Rot. Bonds3

About 6-(2-isocyanophenyl)-2,3-diphenylpyridine

6-(2-isocyanophenyl)-2,3-diphenylpyridine (PubChem CID 59294441) has the molecular formula C24H16N2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(2-isocyanophenyl)-2,3-diphenylpyridine.

Molecular Properties

Compound Name6-(2-isocyanophenyl)-2,3-diphenylpyridine
PubChem CID59294441
Molecular FormulaC24H16N2
Molecular Weight332.41 g/mol
Exact Mass332.13
IUPAC Name6-(2-isocyanophenyl)-2,3-diphenylpyridine
SMILES[C-]#[N+]c1ccccc1-c1ccc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C24H16N2/c1-25-22-15-9-8-14-21(22)23-17-16-20(18-10-4-2-5-11-18)24(26-23)19-12-6-3-7-13-19/h2-17H
InChIKeyYVZJXQJXGNIUPM-UHFFFAOYSA-N
XLogP6.63
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.41
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-isocyano-2-(3-phenylphenyl)benzene
CID 91252150
4,23-diphenyl-3,24-diazapentacyclo[18.4.0.02,7.08,13.014,19]tetracosa-1(20),2(7),3,5,8,10,12,14,16,18,21,23-dodecaene
CID 164778968
3,6-diphenyl-2-pyridin-2-ylpyridine
CID 11652473
2-[9-[2-[9-(2-isocyanophenyl)-7-(2-phenylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-4-(2-phenylphenyl)-1,10-phenanthrolin-2-yl]benzonitrile
CID 168853215
2-(2-isocyanophenyl)-4-(2-methylphenyl)-6-phenyl-1,3,5-triazine
CID 161439670
1-isocyano-2-(3-methylphenyl)benzene
CID 165176431
1,2-diisocyano-3-(4-phenylphenyl)benzene
CID 91137107
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]phenyl]-4-[4-(2-isocyanophenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 161050070
2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-(2-isocyanophenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 158728702
2-(2-isocyanophenyl)-4-phenyl-6-[4-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine
CID 162069098
2-[7'-(2-isocyanophenyl)spiro[adamantane-2,9'-fluorene]-2'-yl]-4,6-diphenyl-1,3,5-triazine
CID 168798452
3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile
CID 168822050

Frequently Asked Questions

What is the IUPAC name of 6-(2-isocyanophenyl)-2,3-diphenylpyridine?
The IUPAC name of 6-(2-isocyanophenyl)-2,3-diphenylpyridine (CID 59294441) is 6-(2-isocyanophenyl)-2,3-diphenylpyridine.
What is the SMILES notation for 6-(2-isocyanophenyl)-2,3-diphenylpyridine?
The canonical SMILES for 6-(2-isocyanophenyl)-2,3-diphenylpyridine is [C-]#[N+]c1ccccc1-c1ccc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 6-(2-isocyanophenyl)-2,3-diphenylpyridine?
The InChIKey is YVZJXQJXGNIUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2/c1-25-22-15-9-8-14-21(22)23-17-16-20(18-10-4-2-5-11-18)24(26-23)19-12-6-3-7-13-19/h2-17H.
What are the key properties of 6-(2-isocyanophenyl)-2,3-diphenylpyridine?
6-(2-isocyanophenyl)-2,3-diphenylpyridine has a molecular weight of 332.41 g/mol, XLogP of 6.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-isocyanophenyl)-2,3-diphenylpyridine is sourced from PubChem (CID 59294441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).