[17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane

C41H46N3OSi+ — CID 174080368

About [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane

[17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane (PubChem CID 174080368) has the molecular formula C41H46N3OSi+ and a molecular weight of 624.93 g/mol. Its IUPAC name is [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane
• PubChem CID: 174080368
• Molecular Formula: C41H46N3OSi+
• Molecular Weight: 624.93 g/mol
• Exact Mass: 624.34
• IUPAC Name: [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane
• SMILES: C=C/C1=N\C(=C)CC2C(CCc3ccc4c(oc5nc(C(C)C)ccc54)c31)c1ccccc1-c1cc(C(C)C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C41H46N3OSi/c1-10-34-39-27(16-18-31-32-19-20-35(25(4)5)43-41(32)45-40(31)39)15-17-30-28-13-11-12-14-29(28)37-22-33(24(2)3)38(46(7,8)9)23-44(37)36(30)21-26(6)42-34/h10-14,16,18-20,22-25,30,36H,1,6,15,17,21H2,2-5,7-9H3/q+1/b42-34+
• InChIKey: IFVZTQFDTLQSQZ-GGGSGSEDSA-N
• XLogP: 9.89
• TPSA: 42.27 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.93
LogP ≤ 5	9.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane?

The IUPAC name of [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane (CID 174080368) is [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane.

What is the SMILES notation for [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane?

The canonical SMILES for [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane is C=C/C1=N\C(=C)CC2C(CCc3ccc4c(oc5nc(C(C)C)ccc54)c31)c1ccccc1-c1cc(C(C)C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane?

The InChIKey is IFVZTQFDTLQSQZ-GGGSGSEDSA-N. The full InChI is InChI=1S/C41H46N3OSi/c1-10-34-39-27(16-18-31-32-19-20-35(25(4)5)43-41(32)45-40(31)39)15-17-30-28-13-11-12-14-29(28)37-22-33(24(2)3)38(46(7,8)9)23-44(37)36(30)21-26(6)42-34/h10-14,16,18-20,22-25,30,36H,1,6,15,17,21H2,2-5,7-9H3/q+1/b42-34+.

What are the key properties of [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane?

[17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane has a molecular weight of 624.93 g/mol, XLogP of 9.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [17-ethenyl-19-methylidene-11,25-di(propan-2-yl)-14-oxa-12,18-diaza-22-azoniaheptacyclo[19.12.0.04,16.07,15.08,13.022,27.028,33]tritriaconta-4(16),5,7(15),8(13),9,11,17,22(27),23,25,28,30,32-tridecaen-24-yl]-trimethylsilane is sourced from PubChem (CID 174080368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).