trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane

C53H49N5Si2+2 — CID 162012271

About trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane

trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane (PubChem CID 162012271) has the molecular formula C53H49N5Si2+2 and a molecular weight of 812.18 g/mol. Its IUPAC name is trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane.

Molecular Properties

• Compound Name: trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane
• PubChem CID: 162012271
• Molecular Formula: C53H49N5Si2+2
• Molecular Weight: 812.18 g/mol
• Exact Mass: 811.35
• IUPAC Name: trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane
• SMILES: CC1(C)c2ccccc2N2c3ccc4c5ccccc5n5c4c3C34c6c2c1cc1c6N(c2ccccc2C1(C)C)c1cc([Si](C)(C)C)cc([n+]13)-c1cc([Si](C)(C)C)cc-5[n+]14
• InChI: InChI=1S/C53H49N5Si2/c1-51(2)34-18-12-15-21-39(34)54-41-24-23-33-32-17-11-14-20-38(32)55-44-27-30(59(5,6)7)25-42-43-26-31(60(8,9)10)28-45-56-40-22-16-13-19-35(40)52(3,4)37-29-36(51)49(54)47(50(37)56)53(57(42)44,58(43)45)46(41)48(33)55/h11-29H,1-10H3/q+2
• InChIKey: CXXDDKJAAIYJKX-UHFFFAOYSA-N
• XLogP: 10.89
• TPSA: 19.17 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	812.18
LogP ≤ 5	10.89
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 trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane?

The IUPAC name of trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane (CID 162012271) is trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane.

What is the SMILES notation for trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane?

The canonical SMILES for trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane is CC1(C)c2ccccc2N2c3ccc4c5ccccc5n5c4c3C34c6c2c1cc1c6N(c2ccccc2C1(C)C)c1cc([Si](C)(C)C)cc([n+]13)-c1cc([Si](C)(C)C)cc-5[n+]14.

What is the InChIKey of trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane?

The InChIKey is CXXDDKJAAIYJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49N5Si2/c1-51(2)34-18-12-15-21-39(34)54-41-24-23-33-32-17-11-14-20-38(32)55-44-27-30(59(5,6)7)25-42-43-26-31(60(8,9)10)28-45-56-40-22-16-13-19-35(40)52(3,4)37-29-36(51)49(54)47(50(37)56)53(57(42)44,58(43)45)46(41)48(33)55/h11-29H,1-10H3/q+2.

What are the key properties of trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane?

trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane has a molecular weight of 812.18 g/mol, XLogP of 10.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-(22,22,28,28-tetramethyl-38-trimethylsilyl-4,15,35-triaza-46,47-diazoniatetradecacyclo[34.10.1.123,27.01,25.02,14.03,11.04,45.05,10.015,24.016,21.026,35.029,34.040,47.041,46]octatetraconta-2(14),3(11),5,7,9,12,16,18,20,23(48),24,26,29,31,33,36,38,40(47),41(46),42,44-henicosaen-43-yl)silane is sourced from PubChem (CID 162012271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).