trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane

C50H53N3OSi+2 — CID 174074108

About trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane

trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane (PubChem CID 174074108) has the molecular formula C50H53N3OSi+2 and a molecular weight of 740.08 g/mol. Its IUPAC name is trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane
• PubChem CID: 174074108
• Molecular Formula: C50H53N3OSi+2
• Molecular Weight: 740.08 g/mol
• Exact Mass: 739.39
• IUPAC Name: trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane
• SMILES: C=C1CC2C(CCc3cc4oc5nc(-c6ccccc6)ccc5c4cc3-c3cc(C(C)C)cc[n+]31)c1ccccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C50H53N3OSi/c1-31(2)24-37-27-46-39-17-13-12-16-38(39)40-19-18-36-28-48-43(41-20-21-44(51-50(41)54-48)34-14-10-9-11-15-34)29-42(36)47-26-35(32(3)4)22-23-52(47)33(5)25-45(40)53(46)30-49(37)55(6,7)8/h9-17,20-23,26-32,40,45H,5,18-19,24-25H2,1-4,6-8H3/q+2
• InChIKey: PVQIVUCIPHFAIH-UHFFFAOYSA-N
• XLogP: 11.57
• TPSA: 33.79 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	740.08
LogP ≤ 5	11.57
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-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane?

The IUPAC name of trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane (CID 174074108) is trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane.

What is the SMILES notation for trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane?

The canonical SMILES for trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane is C=C1CC2C(CCc3cc4oc5nc(-c6ccccc6)ccc5c4cc3-c3cc(C(C)C)cc[n+]31)c1ccccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane?

The InChIKey is PVQIVUCIPHFAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H53N3OSi/c1-31(2)24-37-27-46-39-17-13-12-16-38(39)40-19-18-36-28-48-43(41-20-21-44(51-50(41)54-48)34-14-10-9-11-15-34)29-42(36)47-26-35(32(3)4)22-23-52(47)33(5)25-45(40)53(46)30-49(37)55(6,7)8/h9-17,20-23,26-32,40,45H,5,18-19,24-25H2,1-4,6-8H3/q+2.

What are the key properties of trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane?

trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane has a molecular weight of 740.08 g/mol, XLogP of 11.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[23-methylidene-29-(2-methylpropyl)-10-phenyl-19-propan-2-yl-7-oxa-9-aza-22,26-diazoniaoctacyclo[23.12.0.04,16.06,14.08,13.017,22.026,31.032,37]heptatriaconta-4,6(14),8(13),9,11,15,17(22),18,20,26(31),27,29,32,34,36-pentadecaen-28-yl]silane is sourced from PubChem (CID 174074108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).