[11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane

C62H57N3OSi+2 — CID 174073695

About [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane

[11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane (PubChem CID 174073695) has the molecular formula C62H57N3OSi+2 and a molecular weight of 888.24 g/mol. Its IUPAC name is [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
• PubChem CID: 174073695
• Molecular Formula: C62H57N3OSi+2
• Molecular Weight: 888.24 g/mol
• Exact Mass: 887.43
• IUPAC Name: [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
• SMILES: C=C1CC2C(CCc3ccc4c(oc5ccccc54)c3-c3n(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc4[n+]31)c1ccccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C62H57N3OSi/c1-40(2)36-45-38-56-49-25-14-13-24-48(49)50-34-32-44-33-35-52-51-26-15-18-31-57(51)66-61(52)59(44)62-64(41(3)37-55(50)63(56)39-58(45)67(4,5)6)53-29-16-17-30-54(53)65(62)60-46(42-20-9-7-10-21-42)27-19-28-47(60)43-22-11-8-12-23-43/h7-31,33,35,38-40,50,55H,3,32,34,36-37H2,1-2,4-6H3/q+2
• InChIKey: HEGOEXSIQSYFID-UHFFFAOYSA-N
• XLogP: 14.66
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	888.24
LogP ≤ 5	14.66
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 [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The IUPAC name of [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane (CID 174073695) is [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane.

What is the SMILES notation for [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The canonical SMILES for [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane is C=C1CC2C(CCc3ccc4c(oc5ccccc54)c3-c3n(-c4c(-c5ccccc5)cccc4-c4ccccc4)c4ccccc4[n+]31)c1ccccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The InChIKey is HEGOEXSIQSYFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H57N3OSi/c1-40(2)36-45-38-56-49-25-14-13-24-48(49)50-34-32-44-33-35-52-51-26-15-18-31-57(51)66-61(52)59(44)62-64(41(3)37-55(50)63(56)39-58(45)67(4,5)6)53-29-16-17-30-54(53)65(62)60-46(42-20-9-7-10-21-42)27-19-28-47(60)43-22-11-8-12-23-43/h7-31,33,35,38-40,50,55H,3,32,34,36-37H2,1-2,4-6H3/q+2.

What are the key properties of [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

[11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane has a molecular weight of 888.24 g/mol, XLogP of 14.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [11-(2,6-diphenylphenyl)-3-methylidene-37-(2-methylpropyl)-15-oxa-11-aza-4,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.014,22.016,21.029,34.035,40]tetraconta-4(12),5,7,9,13(25),14(22),16,18,20,23,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane is sourced from PubChem (CID 174073695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).