4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

C118H127F12N13OSSi-4 — CID 160768550

About 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine

4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (PubChem CID 160768550) has the molecular formula C118H127F12N13OSSi-4 and a molecular weight of 2031.53 g/mol. Its IUPAC name is 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

Molecular Properties

• Compound Name: 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• PubChem CID: 160768550
• Molecular Formula: C118H127F12N13OSSi-4
• Molecular Weight: 2031.53 g/mol
• Exact Mass: 2029.96
• IUPAC Name: 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
• SMILES: CCCCCCCCCC[Si]1(CCCCCCCCCC)C=CC(CCCCCC)=C1c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCc1cc2c(cc1-c1ccnc(-c3cc(C(F)(F)F)n[n-]3)c1)oc1ccccc12.CCCCCc1cc2c(cc1-c1ccnc(-c3cc(C(F)(F)F)n[n-]3)c1)sc1ccccc12.CCCCCc1cc2c3ccccc3n(C)c2cc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1
• InChI: InChI=1S/C39H61F3N3Si.C27H24F3N4.C26H21F3N3O.C26H21F3N3S/c1-4-7-10-13-15-17-19-22-28-46(29-23-20-18-16-14-11-8-5-2)30-26-33(24-21-12-9-6-3)38(46)34-25-27-43-35(31-34)36-32-37(45-44-36)39(40,41)42;1-3-4-5-8-17-13-21-19-9-6-7-10-24(19)34(2)25(21)15-20(17)18-11-12-31-22(14-18)23-16-26(33-32-23)27(28,29)30;2*1-2-3-4-7-16-12-20-18-8-5-6-9-23(18)33-24(20)14-19(16)17-10-11-30-21(13-17)22-15-25(32-31-22)26(27,28)29/h25-27,30-32H,4-24,28-29H2,1-3H3;6-7,9-16H,3-5,8H2,1-2H3;2*5-6,8-15H,2-4,7H2,1H3/q4*-1
• InChIKey: RYZVXNJCUUNWLC-UHFFFAOYSA-N
• XLogP: 35.69
• TPSA: 177.59 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 43
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2031.53
LogP ≤ 5	35.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

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 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The IUPAC name of 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine (CID 160768550) is 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine.

What is the SMILES notation for 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The canonical SMILES for 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is CCCCCCCCCC[Si]1(CCCCCCCCCC)C=CC(CCCCCC)=C1c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.CCCCCc1cc2c(cc1-c1ccnc(-c3cc(C(F)(F)F)n[n-]3)c1)oc1ccccc12.CCCCCc1cc2c(cc1-c1ccnc(-c3cc(C(F)(F)F)n[n-]3)c1)sc1ccccc12.CCCCCc1cc2c3ccccc3n(C)c2cc1-c1ccnc(-c2cc(C(F)(F)F)n[n-]2)c1.

What is the InChIKey of 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

The InChIKey is RYZVXNJCUUNWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H61F3N3Si.C27H24F3N4.C26H21F3N3O.C26H21F3N3S/c1-4-7-10-13-15-17-19-22-28-46(29-23-20-18-16-14-11-8-5-2)30-26-33(24-21-12-9-6-3)38(46)34-25-27-43-35(31-34)36-32-37(45-44-36)39(40,41)42;1-3-4-5-8-17-13-21-19-9-6-7-10-24(19)34(2)25(21)15-20(17)18-11-12-31-22(14-18)23-16-26(33-32-23)27(28,29)30;2*1-2-3-4-7-16-12-20-18-8-5-6-9-23(18)33-24(20)14-19(16)17-10-11-30-21(13-17)22-15-25(32-31-22)26(27,28)29/h25-27,30-32H,4-24,28-29H2,1-3H3;6-7,9-16H,3-5,8H2,1-2H3;2*5-6,8-15H,2-4,7H2,1H3/q4*-1.

What are the key properties of 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine?

4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine has a molecular weight of 2031.53 g/mol, XLogP of 35.69, 43 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1,1-didecyl-3-hexylsilol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;9-methyl-3-pentyl-2-[2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]-4-pyridinyl]carbazole;4-(2-pentyldibenzofuran-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine;4-(2-pentyldibenzothiophen-3-yl)-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine is sourced from PubChem (CID 160768550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).