2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide

C95H69F6Ir4N19O3Pt-10 — CID 161332874

About 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide

2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide (PubChem CID 161332874) has the molecular formula C95H69F6Ir4N19O3Pt-10 and a molecular weight of 2602.66 g/mol. Its IUPAC name is 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide.

Molecular Properties

• Compound Name: 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide
• PubChem CID: 161332874
• Molecular Formula: C95H69F6Ir4N19O3Pt-10
• Molecular Weight: 2602.66 g/mol
• Exact Mass: 2604.40
• IUPAC Name: 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide
• SMILES: CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[C-]#N.[CH-]=O.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc2nc(-c3nc4ccccc4[n-]3)ccc2c1
• InChI: InChI=1S/C16H10N3.C12H8N3.C11H6F2N.C11H7FN.C11H8N.C9H5F3N3.2C9H8N3.C5H8O2.CN.CHO.4Ir.Pt/c1-2-6-12-11(5-1)9-10-15(17-12)16-18-13-7-3-4-8-14(13)19-16;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-4(6)3-5(2)7;2*1-2;;;;;/h1-10H;1-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;1-5H;2*2-6H,1H3;3,6H,1-2H3;;1H;;;;;/q8*-1;;2*-1
• InChIKey: JOKZAAFWXAQCBT-UHFFFAOYSA-N
• XLogP: 19.51
• TPSA: 316.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2602.66
LogP ≤ 5	19.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide?

The IUPAC name of 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide (CID 161332874) is 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide.

What is the SMILES notation for 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide?

The canonical SMILES for 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide is CC(=O)C=C(C)O.Cc1cc(-c2ccccn2)[n-]n1.Cc1cc(-c2ccccn2)[n-]n1.FC(F)(F)c1cc(-c2ccccn2)[n-]n1.Fc1c[c-]c(-c2ccccn2)c(F)c1.Fc1c[c-]c(-c2ccccn2)cc1.[C-]#N.[CH-]=O.[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc2nc(-c3nc4ccccc4[n-]3)ccc2c1.

What is the InChIKey of 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide?

The InChIKey is JOKZAAFWXAQCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N3.C12H8N3.C11H6F2N.C11H7FN.C11H8N.C9H5F3N3.2C9H8N3.C5H8O2.CN.CHO.4Ir.Pt/c1-2-6-12-11(5-1)9-10-15(17-12)16-18-13-7-3-4-8-14(13)19-16;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;12-8-4-5-9(10(13)7-8)11-3-1-2-6-14-11;12-10-6-4-9(5-7-10)11-3-1-2-8-13-11;1-2-6-10(7-3-1)11-8-4-5-9-12-11;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;2*1-7-6-9(12-11-7)8-4-2-3-5-10-8;1-4(6)3-5(2)7;2*1-2;;;;;/h1-10H;1-8H;1-4,6-7H;1-4,6-8H;1-6,8-9H;1-5H;2*2-6H,1H3;3,6H,1-2H3;;1H;;;;;/q8*-1;;2*-1;;;;;.

What are the key properties of 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide?

2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide has a molecular weight of 2602.66 g/mol, XLogP of 19.51, 9 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(benzimidazol-1-id-2-yl)quinoline;2-(2,4-difluorobenzene-6-id-1-yl)pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;4-hydroxypent-3-en-2-one;tetrakis(iridium);methanone;bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);2-phenylpyridine;platinum;2-pyridin-2-ylbenzimidazol-1-ide;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;cyanide is sourced from PubChem (CID 161332874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).