[37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane

C65H69N3OSi+2 — CID 174079786

About [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane

[37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane (PubChem CID 174079786) has the molecular formula C65H69N3OSi+2 and a molecular weight of 936.37 g/mol. Its IUPAC name is [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
• PubChem CID: 174079786
• Molecular Formula: C65H69N3OSi+2
• Molecular Weight: 936.37 g/mol
• Exact Mass: 935.52
• IUPAC Name: [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane
• SMILES: C=C1CC2C(CCc3cc4oc5ccccc5c4cc3-c3n1c1ccccc1[n+]3-c1c(C(C)C)cc(-c3ccccc3)cc1C(C)C)c1ccccc1-c1cc(CC3CCCCC3)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C65H69N3OSi/c1-41(2)53-35-47(45-23-13-10-14-24-45)36-54(42(3)4)64(53)68-58-29-19-18-28-57(58)67-43(5)33-59-51(32-31-46-38-62-56(39-55(46)65(67)68)52-27-17-20-30-61(52)69-62)49-25-15-16-26-50(49)60-37-48(34-44-21-11-9-12-22-44)63(40-66(59)60)70(6,7)8/h10,13-20,23-30,35-42,44,51,59H,5,9,11-12,21-22,31-34H2,1-4,6-8H3/q+2
• InChIKey: UZMWTFOXYNQUNF-UHFFFAOYSA-N
• XLogP: 16.17
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	936.37
LogP ≤ 5	16.17
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 [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The IUPAC name of [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane (CID 174079786) is [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane.

What is the SMILES notation for [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The canonical SMILES for [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane is C=C1CC2C(CCc3cc4oc5ccccc5c4cc3-c3n1c1ccccc1[n+]3-c1c(C(C)C)cc(-c3ccccc3)cc1C(C)C)c1ccccc1-c1cc(CC3CCCCC3)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

The InChIKey is UZMWTFOXYNQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H69N3OSi/c1-41(2)53-35-47(45-23-13-10-14-24-45)36-54(42(3)4)64(53)68-58-29-19-18-28-57(58)67-43(5)33-59-51(32-31-46-38-62-56(39-55(46)65(67)68)52-27-17-20-30-61(52)69-62)49-25-15-16-26-50(49)60-37-48(34-44-21-11-9-12-22-44)63(40-66(59)60)70(6,7)8/h10,13-20,23-30,35-42,44,51,59H,5,9,11-12,21-22,31-34H2,1-4,6-8H3/q+2.

What are the key properties of [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane?

[37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane has a molecular weight of 936.37 g/mol, XLogP of 16.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [37-(cyclohexylmethyl)-3-methylidene-11-[4-phenyl-2,6-di(propan-2-yl)phenyl]-22-oxa-4-aza-11,40-diazonianonacyclo[26.12.0.04,12.05,10.013,25.015,23.016,21.029,34.035,40]tetraconta-5,7,9,11,13,15(23),16,18,20,24,29,31,33,35(40),36,38-hexadecaen-38-yl]-trimethylsilane is sourced from PubChem (CID 174079786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).