[10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane

C60H61N3OSi+2 — CID 174080160

About [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane

[10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane (PubChem CID 174080160) has the molecular formula C60H61N3OSi+2 and a molecular weight of 868.25 g/mol. Its IUPAC name is [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane
• PubChem CID: 174080160
• Molecular Formula: C60H61N3OSi+2
• Molecular Weight: 868.25 g/mol
• Exact Mass: 867.46
• IUPAC Name: [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane
• SMILES: C=C1C2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1ccccc1[n+]3-c1c(-c3ccccc3)cccc1C(C)(C)C)c1cc(C)ccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C60H61N3OSi/c1-37(2)33-42-35-52-44-30-27-38(3)34-48(44)46-31-28-41-29-32-47-45-21-14-17-26-53(45)64-58(47)55(41)59-62(39(4)56(46)61(52)36-54(42)65(8,9)10)50-24-15-16-25-51(50)63(59)57-43(40-19-12-11-13-20-40)22-18-23-49(57)60(5,6)7/h11-27,29-30,32,34-37,46,56H,4,28,31,33H2,1-3,5-10H3/q+2
• InChIKey: ZIKSUMBWUJSQQF-UHFFFAOYSA-N
• XLogP: 14.21
• TPSA: 25.83 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	868.25
LogP ≤ 5	14.21
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 [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The IUPAC name of [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane (CID 174080160) is [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane.

What is the SMILES notation for [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The canonical SMILES for [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane is C=C1C2C(CCc3ccc4c(oc5ccccc54)c3-c3n1c1ccccc1[n+]3-c1c(-c3ccccc3)cccc1C(C)(C)C)c1cc(C)ccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

The InChIKey is ZIKSUMBWUJSQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H61N3OSi/c1-37(2)33-42-35-52-44-30-27-38(3)34-48(44)46-31-28-41-29-32-47-45-21-14-17-26-53(45)64-58(47)55(41)59-62(39(4)56(46)61(52)36-54(42)65(8,9)10)50-24-15-16-25-51(50)63(59)57-43(40-19-12-11-13-20-40)22-18-23-49(57)60(5,6)7/h11-27,29-30,32,34-37,46,56H,4,28,31,33H2,1-3,5-10H3/q+2.

What are the key properties of [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane?

[10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane has a molecular weight of 868.25 g/mol, XLogP of 14.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [10-(2-tert-butyl-6-phenylphenyl)-30-methyl-2-methylidene-36-(2-methylpropyl)-14-oxa-3-aza-10,39-diazonianonacyclo[25.12.0.03,11.04,9.012,24.013,21.015,20.028,33.034,39]nonatriaconta-4,6,8,10,12(24),13(21),15,17,19,22,28(33),29,31,34(39),35,37-hexadecaen-37-yl]-trimethylsilane is sourced from PubChem (CID 174080160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).