3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile

C19H11N3 — CID 168822050

IUPAC3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile
SMILES[C-]#[N+]c1cc(C#N)ccc1-c1ncccc1-c1ccccc1
InChIInChI=1S/C19H11N3/c1-21-18-12-14(13-20)9-10-17(18)19-16(8-5-11-22-19)15-6-3-2-4-7-15/h2-12H
InChIKeyLHPDBZCBJCATKW-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.84
Rot. Bonds2

About 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile

3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile (PubChem CID 168822050) has the molecular formula C19H11N3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile
PubChem CID168822050
Molecular FormulaC19H11N3
Molecular Weight281.32 g/mol
Exact Mass281.10
IUPAC Name3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile
SMILES[C-]#[N+]c1cc(C#N)ccc1-c1ncccc1-c1ccccc1
InChIInChI=1S/C19H11N3/c1-21-18-12-14(13-20)9-10-17(18)19-16(8-5-11-22-19)15-6-3-2-4-7-15/h2-12H
InChIKeyLHPDBZCBJCATKW-UHFFFAOYSA-N
XLogP4.84
TPSA41.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-isocyano-4-(4-phenyl-2-pyridinyl)benzonitrile
CID 168821689
2,4-diphenyl-6-[4-(4-pyrimidin-2-ylphenyl)naphthalen-1-yl]-1,3,5-triazine;3-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile;bis(4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile);4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile;2-[4-[4-(2-isocyanophenyl)phenyl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 160525789
2-(3-isocyanophenyl)-3-phenylpyridine
CID 168821758
3-[5-isocyano-2-(2-phenylphenyl)phenyl]-4-(2-phenylphenyl)benzonitrile
CID 58947599
4-isocyano-3-(5-phenyl-2-pyridinyl)benzonitrile
CID 168822091
3-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]benzonitrile;3-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;4-[4-[5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]benzonitrile;2-[4-[5-(2-isocyanophenyl)naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 162237222
3-[3-(2-cyano-4-isocyanophenyl)carbazol-9-yl]-2-[3-[3-(4-cyano-2-isocyanophenyl)carbazol-9-yl]-2-pyridinyl]benzonitrile
CID 153455433
4-[9-[2-[2-cyano-6-[3-(2-cyano-4-isocyanophenyl)-6-(2,4-diisocyanophenyl)carbazol-9-yl]phenyl]-3-pyridinyl]-6-(4-cyano-2-isocyanophenyl)carbazol-3-yl]benzene-1,3-dicarbonitrile
CID 153455460
3-[3-(1H-isoindol-5-yl)-2-pyridinyl]benzonitrile
CID 147128888
2-(3-phenyl-2-pyridinyl)pyrimidine
CID 67877581
4-[16-(4-cyano-2-isocyanophenyl)-7-heptacyclo[18.7.1.02,19.04,17.05,14.08,13.024,28]octacosa-1(27),2,4,6,8,10,12,14,16,18,20,22,24(28),25-tetradecaenyl]-3-isocyanobenzonitrile
CID 156630025
3-quinolin-8-ylbenzonitrile
CID 4189045

Frequently Asked Questions

What is the IUPAC name of 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile (CID 168822050) is 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile is [C-]#[N+]c1cc(C#N)ccc1-c1ncccc1-c1ccccc1.
What is the InChIKey of 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is LHPDBZCBJCATKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3/c1-21-18-12-14(13-20)9-10-17(18)19-16(8-5-11-22-19)15-6-3-2-4-7-15/h2-12H.
What are the key properties of 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile?
3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile has a molecular weight of 281.32 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isocyano-4-(3-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 168822050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).