trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane

C56H55N3OSi+2 — CID 174080102

About trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane

trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane (PubChem CID 174080102) has the molecular formula C56H55N3OSi+2 and a molecular weight of 814.16 g/mol. Its IUPAC name is trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane
• PubChem CID: 174080102
• Molecular Formula: C56H55N3OSi+2
• Molecular Weight: 814.16 g/mol
• Exact Mass: 813.41
• IUPAC Name: trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane
• SMILES: C=C1CC2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1ccccc1[n+]3-c1cccc3ccccc13)c1cc(C(C)C)ccc1-c1cc(C(C)C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C56H55N3OSi/c1-34(2)39-26-28-42-46(31-39)41-27-24-38-25-29-44-43-19-11-14-23-52(43)60-55(44)54(38)56-58(36(5)30-50(41)57-33-53(61(6,7)8)45(35(3)4)32-51(42)57)48-20-12-13-21-49(48)59(56)47-22-15-17-37-16-9-10-18-40(37)47/h9-23,25-26,28-29,31-35,41,50H,5,24,27,30H2,1-4,6-8H3/q+2
• InChIKey: YGGHDPBXLNVPSN-UHFFFAOYSA-N
• XLogP: 13.53
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.16
LogP ≤ 5	13.53
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-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane?

The IUPAC name of trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane (CID 174080102) is trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane.

What is the SMILES notation for trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane?

The canonical SMILES for trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane is C=C1CC2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1ccccc1[n+]3-c1cccc3ccccc13)c1cc(C(C)C)ccc1-c1cc(C(C)C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane?

The InChIKey is YGGHDPBXLNVPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H55N3OSi/c1-34(2)39-26-28-42-46(31-39)41-27-24-38-25-29-44-43-19-11-14-23-52(43)60-55(44)54(38)56-58(36(5)30-50(41)57-33-53(61(6,7)8)45(35(3)4)32-51(42)57)48-20-12-13-21-49(48)59(56)47-22-15-17-37-16-9-10-18-40(37)47/h9-23,25-26,28-29,31-35,41,50H,5,24,27,30H2,1-4,6-8H3/q+2.

What are the key properties of trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane?

trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane has a molecular weight of 814.16 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[3-methylidene-11-naphthalen-1-yl-31,37-di(propan-2-yl)-15-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-5,7,9,11,13(25),14(22),16,18,20,23,29(34),30,32,35(40),36,38-hexadecaen-38-yl]silane is sourced from PubChem (CID 174080102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).