[6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane

C58H58N4OSi+2 — CID 174080825

About [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane

[6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane (PubChem CID 174080825) has the molecular formula C58H58N4OSi+2 and a molecular weight of 855.21 g/mol. Its IUPAC name is [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane
• PubChem CID: 174080825
• Molecular Formula: C58H58N4OSi+2
• Molecular Weight: 855.21 g/mol
• Exact Mass: 854.44
• IUPAC Name: [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane
• SMILES: C=C1C2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1cc(C)nc(C)c1[n+]3-c1c(C(C)C)cc(-c3ccccc3)cc1C(C)C)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C58H58N4OSi/c1-34(2)48-31-41(39-18-12-11-13-19-39)32-49(35(3)4)56(48)62-54-37(6)59-36(5)30-51(54)61-38(7)55-46(43-20-14-15-21-44(43)50-29-26-42(33-60(50)55)64(8,9)10)27-24-40-25-28-47-45-22-16-17-23-52(45)63-57(47)53(40)58(61)62/h11-23,25-26,28-35,46,55H,7,24,27H2,1-6,8-10H3/q+2
• InChIKey: SSEZRKDULKSFJC-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 38.72 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.21
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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 [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The IUPAC name of [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane (CID 174080825) is [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane.

What is the SMILES notation for [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The canonical SMILES for [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane is C=C1C2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1cc(C)nc(C)c1[n+]3-c1c(C(C)C)cc(-c3ccccc3)cc1C(C)C)c1ccccc1-c1ccc([Si](C)(C)C)c[n+]12.

What is the InChIKey of [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The InChIKey is SSEZRKDULKSFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H58N4OSi/c1-34(2)48-31-41(39-18-12-11-13-19-39)32-49(35(3)4)56(48)62-54-37(6)59-36(5)30-51(54)61-38(7)55-46(43-20-14-15-21-44(43)50-29-26-42(33-60(50)55)64(8,9)10)27-24-40-25-28-47-45-22-16-17-23-52(45)63-57(47)53(40)58(61)62/h11-23,25-26,28-35,46,55H,7,24,27H2,1-6,8-10H3/q+2.

What are the key properties of [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

[6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane has a molecular weight of 855.21 g/mol, XLogP of 13.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [6,8-dimethyl-2-methylidene-10-[4-phenyl-2,6-di(propan-2-yl)phenyl]-14-oxa-3,7-diaza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4(9),5,7,10,12(24),13(21),15,17,19,22,28,30,32,34(39),35,37-hexadecaen-37-yl]-trimethylsilane is sourced from PubChem (CID 174080825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).