[18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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

C59H46FN3SSi+2 — CID 174073882

About [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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

[18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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 174073882) has the molecular formula C59H46FN3SSi+2 and a molecular weight of 876.19 g/mol. Its IUPAC name is [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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: [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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: 174073882
• Molecular Formula: C59H46FN3SSi+2
• Molecular Weight: 876.19 g/mol
• Exact Mass: 875.32
• IUPAC Name: [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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(sc5ccc(-c6ccc(F)c7ccccc67)cc54)c3-c3n(-c4cccc5ccccc45)c4ccccc4[n+]31)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C59H46FN3SSi/c1-36-57-47(44-18-8-10-20-46(44)51-32-27-40(35-61(51)57)65(2,3)4)28-24-38-25-29-48-49-34-39(41-30-31-50(60)45-19-9-7-17-43(41)45)26-33-55(49)64-58(48)56(38)59-62(36)53-21-11-12-22-54(53)63(59)52-23-13-15-37-14-5-6-16-42(37)52/h5-23,25-27,29-35,47,57H,1,24,28H2,2-4H3/q+2
• InChIKey: CBFABWOEEGHFRW-UHFFFAOYSA-N
• XLogP: 14.32
• TPSA: 12.69 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.19
LogP ≤ 5	14.32
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 [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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 [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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 174073882) is [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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 [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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 [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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(sc5ccc(-c6ccc(F)c7ccccc67)cc54)c3-c3n(-c4cccc5ccccc45)c4ccccc4[n+]31)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12.

What is the InChIKey of [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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 CBFABWOEEGHFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H46FN3SSi/c1-36-57-47(44-18-8-10-20-46(44)51-32-27-40(35-61(51)57)65(2,3)4)28-24-38-25-29-48-49-34-39(41-30-31-50(60)45-19-9-7-17-43(41)45)26-33-55(49)64-58(48)56(38)59-62(36)53-21-11-12-22-54(53)63(59)52-23-13-15-37-14-5-6-16-42(37)52/h5-23,25-27,29-35,47,57H,1,24,28H2,2-4H3/q+2.

What are the key properties of [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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?

[18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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 876.19 g/mol, XLogP of 14.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [18-(4-fluoronaphthalen-1-yl)-2-methylidene-10-naphthalen-1-yl-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 174073882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).