trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane

C37H35N3OSi+2 — CID 174081145

About trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane

trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane (PubChem CID 174081145) has the molecular formula C37H35N3OSi+2 and a molecular weight of 565.79 g/mol. Its IUPAC name is trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane.

Molecular Properties

• Compound Name: trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane
• PubChem CID: 174081145
• Molecular Formula: C37H35N3OSi+2
• Molecular Weight: 565.79 g/mol
• Exact Mass: 565.25
• IUPAC Name: trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane
• SMILES: C=C1CC2C(CCc3ccc4c(oc5nc([Si](C)(C)C)ccc54)c3-c3cccc[n+]31)c1ccccc1-c1cccc[n+]12
• InChI: InChI=1S/C37H35N3OSi/c1-24-23-33-28(26-11-5-6-12-27(26)31-13-7-10-22-40(31)33)17-15-25-16-18-29-30-19-20-34(42(2,3)4)38-37(30)41-36(29)35(25)32-14-8-9-21-39(24)32/h5-14,16,18-22,28,33H,1,15,17,23H2,2-4H3/q+2
• InChIKey: CUSBAAXQCBVOPT-UHFFFAOYSA-N
• XLogP: 7.58
• TPSA: 33.79 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.79
LogP ≤ 5	7.58
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 trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane?

The IUPAC name of trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane (CID 174081145) is trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane.

What is the SMILES notation for trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane?

The canonical SMILES for trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane is C=C1CC2C(CCc3ccc4c(oc5nc([Si](C)(C)C)ccc54)c3-c3cccc[n+]31)c1ccccc1-c1cccc[n+]12.

What is the InChIKey of trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane?

The InChIKey is CUSBAAXQCBVOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35N3OSi/c1-24-23-33-28(26-11-5-6-12-27(26)31-13-7-10-22-40(31)33)17-15-25-16-18-29-30-19-20-34(42(2,3)4)38-37(30)41-36(29)35(25)32-14-8-9-21-39(24)32/h5-14,16,18-22,28,33H,1,15,17,23H2,2-4H3/q+2.

What are the key properties of trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane?

trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane has a molecular weight of 565.79 g/mol, XLogP of 7.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(23-methylidene-14-oxa-12-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.07,15.08,13.017,22.026,31.032,37]heptatriaconta-4(16),5,7(15),8(13),9,11,17,19,21,26,28,30,32,34,36-pentadecaen-11-yl)silane is sourced from PubChem (CID 174081145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).