trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane

C116H123B3N6Si6 — CID 167621237

About trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane

trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane (PubChem CID 167621237) has the molecular formula C116H123B3N6Si6 and a molecular weight of 1802.25 g/mol. Its IUPAC name is trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane.

Molecular Properties

• Compound Name: trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane
• PubChem CID: 167621237
• Molecular Formula: C116H123B3N6Si6
• Molecular Weight: 1802.25 g/mol
• Exact Mass: 1800.87
• IUPAC Name: trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane
• SMILES: Cc1ccc(N2c3ccc([Si](C)(C)C)cc3B3c4ccc(C(C)(c5ccc6c(c5)N(c5ccc(C)cc5)c5cc(C)cc7c5B6c5cc([Si](C)(C)C)ccc5N7c5ccc([Si](C)(C)C)cc5)c5ccc6c(c5)N(c5ccc([Si](C)(C)C)cc5)c5cc(C)cc7c5B6c5cc([Si](C)(C)C)ccc5N7c5ccc([Si](C)(C)C)cc5)cc4N(c4ccc(C)cc4)c4cc(C)cc2c43)cc1
• InChI: InChI=1S/C116H123B3N6Si6/c1-74-26-35-83(36-27-74)120-101-59-53-92(129(17,18)19)71-98(101)117-95-56-32-80(68-104(95)123(84-37-28-75(2)29-38-84)110-65-77(4)62-107(120)113(110)117)116(7,81-33-57-96-105(69-81)124(85-39-30-76(3)31-40-85)111-66-78(5)63-108-114(111)118(96)99-72-93(130(20,21)22)54-60-102(99)121(108)86-41-47-89(48-42-86)126(8,9)10)82-34-58-97-106(70-82)125(88-45-51-91(52-46-88)128(14,15)16)112-67-79(6)64-109-115(112)119(97)100-73-94(131(23,24)25)55-61-103(100)122(109)87-43-49-90(50-44-87)127(11,12)13/h26-73H,1-25H3
• InChIKey: NNTIQKSOHUSCLZ-UHFFFAOYSA-N
• XLogP: 22.41
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 15
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1802.25
LogP ≤ 5	22.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane?

The IUPAC name of trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane (CID 167621237) is trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane.

What is the SMILES notation for trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane?

The canonical SMILES for trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane is Cc1ccc(N2c3ccc([Si](C)(C)C)cc3B3c4ccc(C(C)(c5ccc6c(c5)N(c5ccc(C)cc5)c5cc(C)cc7c5B6c5cc([Si](C)(C)C)ccc5N7c5ccc([Si](C)(C)C)cc5)c5ccc6c(c5)N(c5ccc([Si](C)(C)C)cc5)c5cc(C)cc7c5B6c5cc([Si](C)(C)C)ccc5N7c5ccc([Si](C)(C)C)cc5)cc4N(c4ccc(C)cc4)c4cc(C)cc2c43)cc1.

What is the InChIKey of trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane?

The InChIKey is NNTIQKSOHUSCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H123B3N6Si6/c1-74-26-35-83(36-27-74)120-101-59-53-92(129(17,18)19)71-98(101)117-95-56-32-80(68-104(95)123(84-37-28-75(2)29-38-84)110-65-77(4)62-107(120)113(110)117)116(7,81-33-57-96-105(69-81)124(85-39-30-76(3)31-40-85)111-66-78(5)63-108-114(111)118(96)99-72-93(130(20,21)22)54-60-102(99)121(108)86-41-47-89(48-42-86)126(8,9)10)82-34-58-97-106(70-82)125(88-45-51-91(52-46-88)128(14,15)16)112-67-79(6)64-109-115(112)119(97)100-73-94(131(23,24)25)55-61-103(100)122(109)87-43-49-90(50-44-87)127(11,12)13/h26-73H,1-25H3.

What are the key properties of trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane?

trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane has a molecular weight of 1802.25 g/mol, XLogP of 22.41, 15 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trimethyl-[11-methyl-17-[1-[11-methyl-8,14-bis(4-methylphenyl)-18-trimethylsilyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]-1-[11-methyl-8-(4-methylphenyl)-18-trimethylsilyl-14-(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaen-5-yl]ethyl]-8,14-bis(4-trimethylsilylphenyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-4-yl]silane is sourced from PubChem (CID 167621237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).