[17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane

C61H47F2N3SSi+2 — CID 174073886

About [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane

[17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane (PubChem CID 174073886) has the molecular formula C61H47F2N3SSi+2 and a molecular weight of 920.22 g/mol. Its IUPAC name is [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane
• PubChem CID: 174073886
• Molecular Formula: C61H47F2N3SSi+2
• Molecular Weight: 920.22 g/mol
• Exact Mass: 919.32
• IUPAC Name: [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane
• SMILES: C=C1C2C(CCc3ccc4c(sc5cc(-c6ccc(F)cc6)ccc54)c3-c3n(-c4c(-c5ccccc5)cc(F)c5ccccc45)c4ccccc4[n+]31)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C61H47F2N3SSi/c1-37-58-49(44-16-8-10-18-46(44)53-33-29-43(36-64(53)58)68(2,3)4)31-24-40-25-32-50-47-30-26-41(38-22-27-42(62)28-23-38)34-56(47)67-60(50)57(40)61-65(37)54-20-12-13-21-55(54)66(61)59-48-19-11-9-17-45(48)52(63)35-51(59)39-14-6-5-7-15-39/h5-23,25-30,32-36,49,58H,1,24,31H2,2-4H3/q+2
• InChIKey: DRXMDZYJDPGFJG-UHFFFAOYSA-N
• XLogP: 14.97
• TPSA: 12.69 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	920.22
LogP ≤ 5	14.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The IUPAC name of [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane (CID 174073886) is [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane.

What is the SMILES notation for [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The canonical SMILES for [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane is C=C1C2C(CCc3ccc4c(sc5cc(-c6ccc(F)cc6)ccc54)c3-c3n(-c4c(-c5ccccc5)cc(F)c5ccccc45)c4ccccc4[n+]31)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12.

What is the InChIKey of [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The InChIKey is DRXMDZYJDPGFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H47F2N3SSi/c1-37-58-49(44-16-8-10-18-46(44)53-33-29-43(36-64(53)58)68(2,3)4)31-24-40-25-32-50-47-30-26-41(38-22-27-42(62)28-23-38)34-56(47)67-60(50)57(40)61-65(37)54-20-12-13-21-55(54)66(61)59-48-19-11-9-17-45(48)52(63)35-51(59)39-14-6-5-7-15-39/h5-23,25-30,32-36,49,58H,1,24,31H2,2-4H3/q+2.

What are the key properties of [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

[17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane has a molecular weight of 920.22 g/mol, XLogP of 14.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [17-(4-fluorophenyl)-10-(4-fluoro-2-phenylnaphthalen-1-yl)-2-methylidene-14-thia-10-aza-3,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-3(11),4,6,8,12(24),13(21),15(20),16,18,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane is sourced from PubChem (CID 174073886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).