3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile

C142H95Ir4N15-8 — CID 159214969

About 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile

3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile (PubChem CID 159214969) has the molecular formula C142H95Ir4N15-8 and a molecular weight of 2780.29 g/mol. Its IUPAC name is 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile.

Molecular Properties

• Compound Name: 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile
• PubChem CID: 159214969
• Molecular Formula: C142H95Ir4N15-8
• Molecular Weight: 2780.29 g/mol
• Exact Mass: 2781.65
• IUPAC Name: 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile
• SMILES: CCc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.N#Cc1cc(-c2cc[c-]c(-c3ccccn3)c2)c(C#N)cc1-c1ccccc1.N#Cc1ccc(-c2cc(C#N)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.N#Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.N#Cc1cccc(-c2cc(C#N)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)c1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/3C25H14N3.C18H11N2.C13H12N.3C12H10N.4Ir/c26-16-18-5-3-6-20(11-18)23-12-19(17-27)13-24(15-23)21-7-4-8-22(14-21)25-9-1-2-10-28-25;26-16-18-7-9-20(10-8-18)23-12-19(17-27)13-24(15-23)21-4-3-5-22(14-21)25-6-1-2-11-28-25;26-16-21-15-24(22(17-27)14-23(21)18-7-2-1-3-8-18)19-9-6-10-20(13-19)25-11-4-5-12-28-25;19-13-14-7-9-15(10-8-14)16-4-3-5-17(12-16)18-6-1-2-11-20-18;1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11;3*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h1-7,9-15H;1-4,6-15H;1-9,11-15H;1-4,6-12H;3-7,9-10H,2H2,1H3;3*2-7,9H,1H3;;;;/q8*-1
• InChIKey: JUCCOMBZORQQCD-UHFFFAOYSA-N
• XLogP: 32.64
• TPSA: 269.65 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2780.29
LogP ≤ 5	32.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile?

The IUPAC name of 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile (CID 159214969) is 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile.

What is the SMILES notation for 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile?

The canonical SMILES for 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile is CCc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.Cc1cccc(-c2[c-]cccc2)n1.N#Cc1cc(-c2cc[c-]c(-c3ccccn3)c2)c(C#N)cc1-c1ccccc1.N#Cc1ccc(-c2cc(C#N)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)cc1.N#Cc1ccc(-c2cc[c-]c(-c3ccccn3)c2)cc1.N#Cc1cccc(-c2cc(C#N)cc(-c3cc[c-]c(-c4ccccn4)c3)c2)c1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile?

The InChIKey is JUCCOMBZORQQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C25H14N3.C18H11N2.C13H12N.3C12H10N.4Ir/c26-16-18-5-3-6-20(11-18)23-12-19(17-27)13-24(15-23)21-7-4-8-22(14-21)25-9-1-2-10-28-25;26-16-18-7-9-20(10-8-18)23-12-19(17-27)13-24(15-23)21-4-3-5-22(14-21)25-6-1-2-11-28-25;26-16-21-15-24(22(17-27)14-23(21)18-7-2-1-3-8-18)19-9-6-10-20(13-19)25-11-4-5-12-28-25;19-13-14-7-9-15(10-8-14)16-4-3-5-17(12-16)18-6-1-2-11-20-18;1-2-12-9-6-10-13(14-12)11-7-4-3-5-8-11;3*1-10-6-5-9-12(13-10)11-7-3-2-4-8-11;;;;/h1-7,9-15H;1-4,6-15H;1-9,11-15H;1-4,6-12H;3-7,9-10H,2H2,1H3;3*2-7,9H,1H3;;;;/q8*-1;;;;.

What are the key properties of 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile?

3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile has a molecular weight of 2780.29 g/mol, XLogP of 32.64, 16 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;3-(4-cyanophenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile;2-ethyl-6-phenylpyridine;tetrakis(iridium);tris(2-methyl-6-phenylpyridine);2-phenyl-5-(3-pyridin-2-ylbenzene-4-id-1-yl)benzene-1,4-dicarbonitrile;4-(3-pyridin-2-ylbenzene-4-id-1-yl)benzonitrile is sourced from PubChem (CID 159214969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).