trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane

C61H57N3OSi+2 — CID 174080817

About trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane

trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane (PubChem CID 174080817) has the molecular formula C61H57N3OSi+2 and a molecular weight of 876.23 g/mol. Its IUPAC name is trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane
• PubChem CID: 174080817
• Molecular Formula: C61H57N3OSi+2
• Molecular Weight: 876.23 g/mol
• Exact Mass: 875.43
• IUPAC Name: trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane
• SMILES: C=C1C2C(CCc3ccc4c(oc5c6ccccc6ccc45)c3-c3n(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c4ccccc4[n+]31)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C61H57N3OSi/c1-37(2)51-34-43(40-18-10-9-11-19-40)35-52(38(3)4)58(51)64-55-25-17-16-24-54(55)63-39(5)57-48(46-22-14-15-23-47(46)53-33-29-44(36-62(53)57)66(6,7)8)30-27-42-28-32-50-49-31-26-41-20-12-13-21-45(41)59(49)65-60(50)56(42)61(63)64/h9-26,28-29,31-38,48,57H,5,27,30H2,1-4,6-8H3/q+2
• InChIKey: UTQVYUAMRWDFDN-UHFFFAOYSA-N
• XLogP: 14.81
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	876.23
LogP ≤ 5	14.81
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-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane?

The IUPAC name of trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane (CID 174080817) is trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane.

What is the SMILES notation for trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane?

The canonical SMILES for trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane is C=C1C2C(CCc3ccc4c(oc5c6ccccc6ccc45)c3-c3n(-c4c(C(C)C)cc(-c5ccccc5)cc4C(C)C)c4ccccc4[n+]31)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12.

What is the InChIKey of trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane?

The InChIKey is UTQVYUAMRWDFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H57N3OSi/c1-37(2)51-34-43(40-18-10-9-11-19-40)35-52(38(3)4)58(51)64-55-25-17-16-24-54(55)63-39(5)57-48(46-22-14-15-23-47(46)53-33-29-44(36-62(53)57)66(6,7)8)30-27-42-28-32-50-49-31-26-41-20-12-13-21-45(41)59(49)65-60(50)56(42)61(63)64/h9-26,28-29,31-38,48,57H,5,27,30H2,1-4,6-8H3/q+2.

What are the key properties of trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane?

trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane has a molecular weight of 876.23 g/mol, XLogP of 14.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[11-methylidene-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]-42-oxa-3-aza-10,13-diazoniadecacyclo[26.15.0.02,10.04,9.012,25.013,18.019,24.031,43.032,41.035,40]tritetraconta-1(28),2(10),4,6,8,13(18),14,16,19,21,23,29,31(43),32(41),33,35,37,39-octadecaen-15-yl]silane is sourced from PubChem (CID 174080817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).