bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine

C89H93F9Ir4N14O4Si4-6 — CID 158971073

About bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine

bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine (PubChem CID 158971073) has the molecular formula C89H93F9Ir4N14O4Si4-6 and a molecular weight of 2475.01 g/mol. Its IUPAC name is bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine.

Molecular Properties

• Compound Name: bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine
• PubChem CID: 158971073
• Molecular Formula: C89H93F9Ir4N14O4Si4-6
• Molecular Weight: 2475.01 g/mol
• Exact Mass: 2476.50
• IUPAC Name: bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine
• SMILES: CC(=O)C=C(O)c1ccccc1.CC(F)(F)C(=O)C=C(O)C(F)(F)F.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)c(C)n1.Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)c(C)n1.Cc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccc[n-]2)nc1
• InChI: InChI=1S/2C15H19N2Si.2C13H13F2N2Si.C10H10O2.C9H7N2.C8H7N4.C6H5F5O2.4Ir/c2*1-11-6-8-14(12(2)17-11)15-9-7-13(10-16-15)18(3,4)5;2*1-18(2,3)9-4-6-11(16-8-9)10-5-7-12(14)17-13(10)15;1-8(11)7-10(12)9-5-3-2-4-6-9;1-2-6-10-8(4-1)9-5-3-7-11-9;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5(7,8)3(12)2-4(13)6(9,10)11;;;;/h2*6-7,9-10H,1-5H3;2*4,6-8H,1-3H3;2-7,12H,1H3;1-7H;2-5H,1H3;2,13H,1H3;;;;/q4*-1;;2*-1
• InChIKey: FPXOWQIDWMDVFR-UHFFFAOYSA-N
• XLogP: 18.64
• TPSA: 257.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2475.01
LogP ≤ 5	18.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine?

The IUPAC name of bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine (CID 158971073) is bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine.

What is the SMILES notation for bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine?

The canonical SMILES for bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine is CC(=O)C=C(O)c1ccccc1.CC(F)(F)C(=O)C=C(O)C(F)(F)F.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)c(C)n1.Cc1c[c-]c(-c2ccc([Si](C)(C)C)cn2)c(C)n1.Cc1n[n-]c(-c2ccccn2)n1.[Ir].[Ir].[Ir].[Ir].c1ccc(-c2ccc[n-]2)nc1.

What is the InChIKey of bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine?

The InChIKey is FPXOWQIDWMDVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H19N2Si.2C13H13F2N2Si.C10H10O2.C9H7N2.C8H7N4.C6H5F5O2.4Ir/c2*1-11-6-8-14(12(2)17-11)15-9-7-13(10-16-15)18(3,4)5;2*1-18(2,3)9-4-6-11(16-8-9)10-5-7-12(14)17-13(10)15;1-8(11)7-10(12)9-5-3-2-4-6-9;1-2-6-10-8(4-1)9-5-3-7-11-9;1-6-10-8(12-11-6)7-4-2-3-5-9-7;1-5(7,8)3(12)2-4(13)6(9,10)11;;;;/h2*6-7,9-10H,1-5H3;2*4,6-8H,1-3H3;2-7,12H,1H3;1-7H;2-5H,1H3;2,13H,1H3;;;;/q4*-1;;2*-1;;;;;.

What are the key properties of bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine?

bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine has a molecular weight of 2475.01 g/mol, XLogP of 18.64, 14 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for bis([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);bis([6-(2,6-dimethyl-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);4-hydroxy-4-phenylbut-3-en-2-one;tetrakis(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;2,2,6,6,6-pentafluoro-5-hydroxyhex-4-en-3-one;2-pyrrol-1-id-2-ylpyridine is sourced from PubChem (CID 158971073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).