2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine

C82H84F8Ir3N19Si4-5 — CID 158320877

About 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine (PubChem CID 158320877) has the molecular formula C82H84F8Ir3N19Si4-5 and a molecular weight of 2176.69 g/mol. Its IUPAC name is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine.

Molecular Properties

• Compound Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine
• PubChem CID: 158320877
• Molecular Formula: C82H84F8Ir3N19Si4-5
• Molecular Weight: 2176.69 g/mol
• Exact Mass: 2177.50
• IUPAC Name: 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine
• SMILES: CC(C)(C)c1n[n-]c(-c2ccccn2)n1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.C[Si](C)(C)c1ccc2[n+](c1)Cc1cc(F)nc(F)c1-2.Cc1n[n-]c(-c2ccccn2)n1.Cc1nc(-c2ccccn2)[n-]c1C.[Ir].[Ir].[Ir]
• InChI: InChI=1S/C14H15F2N2Si.3C13H13F2N2Si.C11H13N4.C10H10N3.C8H7N4.3Ir/c1-19(2,3)10-4-5-11-13-9(7-18(11)8-10)6-12(15)17-14(13)16;3*1-18(2,3)9-4-6-11(16-8-9)10-5-7-12(14)17-13(10)15;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;1-6-10-8(12-11-6)7-4-2-3-5-9-7;;;/h4-6,8H,7H2,1-3H3;3*4,6-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;2-5H,1H3;;;/q+1;6*-1
• InChIKey: CEQVVOQRCZNOHZ-UHFFFAOYSA-N
• XLogP: 14.83
• TPSA: 239.53 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2176.69
LogP ≤ 5	14.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine?

The IUPAC name of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine (CID 158320877) is 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine.

What is the SMILES notation for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine?

The canonical SMILES for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine is CC(C)(C)c1n[n-]c(-c2ccccn2)n1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.C[Si](C)(C)c1ccc(-c2[c-]cc(F)nc2F)nc1.C[Si](C)(C)c1ccc2[n+](c1)Cc1cc(F)nc(F)c1-2.Cc1n[n-]c(-c2ccccn2)n1.Cc1nc(-c2ccccn2)[n-]c1C.[Ir].[Ir].[Ir].

What is the InChIKey of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine?

The InChIKey is CEQVVOQRCZNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N2Si.3C13H13F2N2Si.C11H13N4.C10H10N3.C8H7N4.3Ir/c1-19(2,3)10-4-5-11-13-9(7-18(11)8-10)6-12(15)17-14(13)16;3*1-18(2,3)9-4-6-11(16-8-9)10-5-7-12(14)17-13(10)15;1-11(2,3)10-13-9(14-15-10)8-6-4-5-7-12-8;1-7-8(2)13-10(12-7)9-5-3-4-6-11-9;1-6-10-8(12-11-6)7-4-2-3-5-9-7;;;/h4-6,8H,7H2,1-3H3;3*4,6-8H,1-3H3;4-7H,1-3H3;3-6H,1-2H3;2-5H,1H3;;;/q+1;6*-1;;;.

What are the key properties of 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine?

2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine has a molecular weight of 2176.69 g/mol, XLogP of 14.83, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-tert-butyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;tris([6-(2,6-difluoro-4H-pyridin-4-id-3-yl)-3-pyridinyl]-trimethylsilane);(1,3-difluoro-5H-pyrido[3,4-a]indolizin-6-ium-8-yl)-trimethylsilane;2-(4,5-dimethylimidazol-3-id-2-yl)pyridine;tris(iridium);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine is sourced from PubChem (CID 158320877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).