2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile

C19H11N3 — CID 168821775

IUPAC2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile
SMILES[C-]#[N+]c1cc(-c2ccc(-c3ccccc3)cn2)ccc1C#N
InChIInChI=1S/C19H11N3/c1-21-19-11-15(7-8-16(19)12-20)18-10-9-17(13-22-18)14-5-3-2-4-6-14/h2-11,13H
InChIKeyBGJOIZXMVYFCOB-UHFFFAOYSA-N
MW281.32 g/mol
LogP4.84
Rot. Bonds2

About 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile

2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile (PubChem CID 168821775) has the molecular formula C19H11N3 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile.

Molecular Properties

Compound Name2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile
PubChem CID168821775
Molecular FormulaC19H11N3
Molecular Weight281.32 g/mol
Exact Mass281.10
IUPAC Name2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile
SMILES[C-]#[N+]c1cc(-c2ccc(-c3ccccc3)cn2)ccc1C#N
InChIInChI=1S/C19H11N3/c1-21-19-11-15(7-8-16(19)12-20)18-10-9-17(13-22-18)14-5-3-2-4-6-14/h2-11,13H
InChIKeyBGJOIZXMVYFCOB-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

4-isocyano-3-(5-phenyl-2-pyridinyl)benzonitrile
CID 168822091
2-(3-phenylphenyl)-5-[6-(3-phenylphenyl)-3-pyridinyl]pyridine
CID 59629353
2-[2-[3-[2-(2-isocyano-4-pyridin-2-ylphenyl)phenyl]-5-[2-[4-(5-methyl-2-pyridinyl)-2-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-5-pyridin-2-ylbenzonitrile
CID 153458243
2-(3,5-diphenylphenyl)-5-[6-(3,5-diphenylphenyl)-3-pyridinyl]pyridine
CID 59629341
4-isocyano-5-(5-methyl-4-phenyl-2-pyridinyl)benzene-1,2-dicarbonitrile
CID 168821657
4-isocyano-5-(4-methyl-5-phenyl-2-pyridinyl)benzene-1,2-dicarbonitrile
CID 168821648
2-[5-[7-[6-(3-isocyano-2-pyridinyl)-3-pyridinyl]pyren-2-yl]-2-pyridinyl]pyridine-3-carbonitrile
CID 140769473
4-[9-(4-cyano-3-isocyanophenyl)-14-(3,4-diisocyanophenyl)-5,10,15-triphenyl-3,5,8,10,13,15-hexazatetracyclo[10.3.0.02,6.07,11]pentadeca-1(12),2(6),3,7(11),8,13-hexaen-4-yl]benzene-1,2-dicarbonitrile
CID 159031962
2-[2,10-bis(5-phenyl-2-pyridinyl)anthracen-9-yl]-5-phenylpyridine
CID 89491882
5-[4-(6-isocyanodibenzofuran-4-yl)phenyl]-2-phenylpyridine
CID 171761037
4,5-bis[2,7-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-(3-isocyanophenyl)benzonitrile;3-[4-[3,6-bis(6-phenyl-2-pyridinyl)carbazol-9-yl]-2-isocyano-5-[3-(5-phenyl-2-pyridinyl)-6-(6-phenyl-2-pyridinyl)carbazol-9-yl]phenyl]benzonitrile;2-(3-cyanophenyl)-4,5-bis[2-(6-phenyl-3-pyridinyl)carbazol-9-yl]benzonitrile
CID 159083792
4-(4,5-dimethyl-2-pyridinyl)-2-phenylbenzonitrile
CID 170284634

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile?
The IUPAC name of 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile (CID 168821775) is 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile.
What is the SMILES notation for 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile?
The canonical SMILES for 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile is [C-]#[N+]c1cc(-c2ccc(-c3ccccc3)cn2)ccc1C#N.
What is the InChIKey of 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile?
The InChIKey is BGJOIZXMVYFCOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N3/c1-21-19-11-15(7-8-16(19)12-20)18-10-9-17(13-22-18)14-5-3-2-4-6-14/h2-11,13H.
What are the key properties of 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile?
2-isocyano-4-(5-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 2-isocyano-4-(5-phenyl-2-pyridinyl)benzonitrile is sourced from PubChem (CID 168821775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).