[15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane

C72H73N3Si2+2 — CID 174080592

About [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane

[15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane (PubChem CID 174080592) has the molecular formula C72H73N3Si2+2 and a molecular weight of 1036.57 g/mol. Its IUPAC name is [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane.

Molecular Properties

• Compound Name: [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane
• PubChem CID: 174080592
• Molecular Formula: C72H73N3Si2+2
• Molecular Weight: 1036.57 g/mol
• Exact Mass: 1035.53
• IUPAC Name: [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane
• SMILES: C=C1CC2C(CCc3cc4c(cc3-c3n(-c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccc6ccccc6c5[n+]31)-c1ccccc1[Si]4(C)C)c1ccccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12
• InChI: InChI=1S/C72H73N3Si2/c1-46(2)38-52-40-65-56-31-21-20-30-55(56)57-36-34-51-41-67-62(58-32-22-23-33-66(58)77(67,10)11)44-61(51)71-74(47(3)39-64(57)73(65)45-68(52)76(7,8)9)70-54-29-19-18-28-50(54)35-37-63(70)75(71)69-59(48-24-14-12-15-25-48)42-53(72(4,5)6)43-60(69)49-26-16-13-17-27-49/h12-33,35,37,40-46,57,64H,3,34,36,38-39H2,1-2,4-11H3/q+2
• InChIKey: XVWOIYLPUYBTHP-UHFFFAOYSA-N
• XLogP: 16.02
• TPSA: 12.69 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1036.57
LogP ≤ 5	16.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane?

The IUPAC name of [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane (CID 174080592) is [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane.

What is the SMILES notation for [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane?

The canonical SMILES for [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane is C=C1CC2C(CCc3cc4c(cc3-c3n(-c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccc6ccccc6c5[n+]31)-c1ccccc1[Si]4(C)C)c1ccccc1-c1cc(CC(C)C)c([Si](C)(C)C)c[n+]12.

What is the InChIKey of [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane?

The InChIKey is XVWOIYLPUYBTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H73N3Si2/c1-46(2)38-52-40-65-56-31-21-20-30-55(56)57-36-34-51-41-67-62(58-32-22-23-33-66(58)77(67,10)11)44-61(51)71-74(47(3)39-64(57)73(65)45-68(52)76(7,8)9)70-54-29-19-18-28-50(54)35-37-63(70)75(71)69-59(48-24-14-12-15-25-48)42-53(72(4,5)6)43-60(69)49-26-16-13-17-27-49/h12-33,35,37,40-46,57,64H,3,34,36,38-39H2,1-2,4-11H3/q+2.

What are the key properties of [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane?

[15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane has a molecular weight of 1036.57 g/mol, XLogP of 16.02, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for [15-(4-tert-butyl-2,6-diphenylphenyl)-26,26-dimethyl-3-methylidene-41-(2-methylpropyl)-15-aza-4,44-diazonia-26-siladecacyclo[30.12.0.04,16.05,14.06,11.017,29.019,27.020,25.033,38.039,44]tetratetraconta-4(16),5(14),6,8,10,12,17,19(27),20,22,24,28,33,35,37,39(44),40,42-octadecaen-42-yl]-trimethylsilane is sourced from PubChem (CID 174080592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).