tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane

C73H89F9N12O11Si2 — CID 176543068

About tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane

tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (PubChem CID 176543068) has the molecular formula C73H89F9N12O11Si2 and a molecular weight of 1537.74 g/mol. Its IUPAC name is tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
• PubChem CID: 176543068
• Molecular Formula: C73H89F9N12O11Si2
• Molecular Weight: 1537.74 g/mol
• Exact Mass: 1536.62
• IUPAC Name: tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane
• SMILES: C.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.O=C=O.O=C=O.O=C=O
• InChI: InChI=1S/2C25H33F3N4O2Si.C19H19F3N4O.3CO2.CH4/c1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)31-32(23)16-33-11-12-35(4,5)6;1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)32(31-23)16-33-11-12-35(4,5)6;1-11(2)10-27-16-8-12(3)15(9-23-16)13-4-6-14(7-5-13)17-24-18(26-25-17)19(20,21)22;3*2-1-3;/h2*7-10,13-14,17H,11-12,15-16H2,1-6H3;4-9,11H,10H2,1-3H3,(H,24,25,26);;;;1H4
• InChIKey: JDEGWUFRTRHHAD-UHFFFAOYSA-N
• XLogP: 17.14
• TPSA: 290.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 22
• Rotatable Bonds: 25
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1537.74
LogP ≤ 5	17.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

The IUPAC name of tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane (CID 176543068) is tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane.

What is the SMILES notation for tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

The canonical SMILES for tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane is C.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2n[nH]c(C(F)(F)F)n2)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)n(COCC[Si](C)(C)C)n2)cc1.Cc1cc(OCC(C)C)ncc1-c1ccc(-c2nc(C(F)(F)F)nn2COCC[Si](C)(C)C)cc1.O=C=O.O=C=O.O=C=O.

What is the InChIKey of tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

The InChIKey is JDEGWUFRTRHHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H33F3N4O2Si.C19H19F3N4O.3CO2.CH4/c1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)31-32(23)16-33-11-12-35(4,5)6;1-17(2)15-34-22-13-18(3)21(14-29-22)19-7-9-20(10-8-19)23-30-24(25(26,27)28)32(31-23)16-33-11-12-35(4,5)6;1-11(2)10-27-16-8-12(3)15(9-23-16)13-4-6-14(7-5-13)17-24-18(26-25-17)19(20,21)22;3*2-1-3;/h2*7-10,13-14,17H,11-12,15-16H2,1-6H3;4-9,11H,10H2,1-3H3,(H,24,25,26);;;;1H4.

What are the key properties of tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane?

tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane has a molecular weight of 1537.74 g/mol, XLogP of 17.14, 25 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for tris(carbon dioxide);methane;4-methyl-2-(2-methylpropoxy)-5-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyridine;trimethyl-[2-[[3-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-5-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[5-[4-[4-methyl-6-(2-methylpropoxy)-3-pyridinyl]phenyl]-3-(trifluoromethyl)-1,2,4-triazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 176543068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).