ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)

C83H111F3Ge3Ir2N5O6SSi2-2 — CID 157168971

About ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)

ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane) (PubChem CID 157168971) has the molecular formula C83H111F3Ge3Ir2N5O6SSi2-2 and a molecular weight of 2022.33 g/mol. Its IUPAC name is ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane).

Molecular Properties

• Compound Name: ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
• PubChem CID: 157168971
• Molecular Formula: C83H111F3Ge3Ir2N5O6SSi2-2
• Molecular Weight: 2022.33 g/mol
• Exact Mass: 2026.47
• IUPAC Name: ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)
• SMILES: CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CCO.CO.CO.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.O=S(=O)([O-])C(F)(F)F.[Ir+3].[Ir]
• InChI: InChI=1S/C18H25NSi.C18H24NSi.3C14H16GeN.C2H6O.CHF3O3S.2CH4O.2Ir/c2*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;3*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-2-3;2-1(3,4)8(5,6)7;2*1-2;;/h6-10,12-14H,11H2,1-5H3;6-9,12-14H,11H2,1-5H3;3*4-7,9-11H,1-3H3;3H,2H2,1H3;(H,5,6,7);2*2H,1H3;;/q;4*-1;;;;;;+3/p-1
• InChIKey: CZHNETYXNIRGAA-UHFFFAOYSA-M
• XLogP: 17.33
• TPSA: 182.34 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 14
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2022.33
LogP ≤ 5	17.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)?

The IUPAC name of ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane) (CID 157168971) is ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane).

What is the SMILES notation for ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)?

The canonical SMILES for ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane) is CC(C)Cc1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C.CC(C)Cc1cc(-c2ccccc2)ncc1[Si](C)(C)C.CCO.CO.CO.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.C[Ge](C)(C)c1ccc(-c2[c-]cccc2)nc1.O=S(=O)([O-])C(F)(F)F.[Ir+3].[Ir].

What is the InChIKey of ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)?

The InChIKey is CZHNETYXNIRGAA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H25NSi.C18H24NSi.3C14H16GeN.C2H6O.CHF3O3S.2CH4O.2Ir/c2*1-14(2)11-16-12-17(15-9-7-6-8-10-15)19-13-18(16)20(3,4)5;3*1-15(2,3)13-9-10-14(16-11-13)12-7-5-4-6-8-12;1-2-3;2-1(3,4)8(5,6)7;2*1-2;;/h6-10,12-14H,11H2,1-5H3;6-9,12-14H,11H2,1-5H3;3*4-7,9-11H,1-3H3;3H,2H2,1H3;(H,5,6,7);2*2H,1H3;;/q;4*-1;;;;;;+3/p-1.

What are the key properties of ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane)?

ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane) has a molecular weight of 2022.33 g/mol, XLogP of 17.33, 14 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethanol;iridium;iridium(3+);methanol;trifluoromethanesulfonate;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane;tris(trimethyl-(6-phenyl-3-pyridinyl)germane) is sourced from PubChem (CID 157168971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).