8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

C207H170B4N16Si4 — CID 160744129

About 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene

8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (PubChem CID 160744129) has the molecular formula C207H170B4N16Si4 and a molecular weight of 3037.34 g/mol. Its IUPAC name is 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• PubChem CID: 160744129
• Molecular Formula: C207H170B4N16Si4
• Molecular Weight: 3037.34 g/mol
• Exact Mass: 3035.32
• IUPAC Name: 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene
• SMILES: CC(C)(C)c1cc2c3c(c1)N(c1ccccc1-c1ccccn1)c1cccc4c1B3c1c(cccc1[Si]4(C)c1ccccc1)N2c1ccccc1-c1ccccn1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1-c1ccccn1)c1cccc4c1B3c1c(cccc1[Si]4(C)c1ccccc1)N2c1ccc(C(C)(C)C)cc1-c1ccccn1.Cc1cc2c3c(c1)N(c1ccccc1-c1ccccn1)c1cc(C)cc4c1B3c1c(cc(C)cc1[Si]4(C)c1ccccc1)N2c1ccccc1-c1ccccn1.Cc1ccc(N2c3cc(C)cc4c3B3c5c2cccc5[Si](C)(c2ccccc2)c2cccc(c23)N4c2ccc(C)cc2-c2ccccn2)c(-c2ccccn2)c1
• InChI: InChI=1S/C56H51BN4Si.C51H41BN4Si.2C50H39BN4Si/c1-36-32-48-52-49(33-36)61(45-29-27-38(56(5,6)7)35-41(45)43-21-13-15-31-59-43)47-23-17-25-51-54(47)57(52)53-46(22-16-24-50(53)62(51,8)39-18-10-9-11-19-39)60(48)44-28-26-37(55(2,3)4)34-40(44)42-20-12-14-30-58-42;1-51(2,3)34-32-44-48-45(33-34)56(41-25-11-9-21-37(41)39-23-13-15-31-54-39)43-27-17-29-47-50(43)52(48)49-42(26-16-28-46(49)57(47,4)35-18-6-5-7-19-35)55(44)40-24-10-8-20-36(40)38-22-12-14-30-53-38;1-32-26-42-48-43(27-32)55(41-23-11-9-19-37(41)39-21-13-15-25-53-39)45-29-34(3)31-47-50(45)51(48)49-44(28-33(2)30-46(49)56(47,4)35-16-6-5-7-17-35)54(42)40-22-10-8-18-36(40)38-20-12-14-24-52-38;1-32-22-24-40(36(28-32)38-16-8-10-26-52-38)54-42-18-12-20-46-49(42)51-48-44(54)30-34(3)31-45(48)55(41-25-23-33(2)29-37(41)39-17-9-11-27-53-39)43-19-13-21-47(50(43)51)56(46,4)35-14-6-5-7-15-35/h9-35H,1-8H3;5-33H,1-4H3;2*5-31H,1-4H3
• InChIKey: RVYXWARPYMVEBZ-UHFFFAOYSA-N
• XLogP: 35.28
• TPSA: 129.04 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 231
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3037.34
LogP ≤ 5	35.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The IUPAC name of 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene (CID 160744129) is 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene.

What is the SMILES notation for 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The canonical SMILES for 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is CC(C)(C)c1cc2c3c(c1)N(c1ccccc1-c1ccccn1)c1cccc4c1B3c1c(cccc1[Si]4(C)c1ccccc1)N2c1ccccc1-c1ccccn1.Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1-c1ccccn1)c1cccc4c1B3c1c(cccc1[Si]4(C)c1ccccc1)N2c1ccc(C(C)(C)C)cc1-c1ccccn1.Cc1cc2c3c(c1)N(c1ccccc1-c1ccccn1)c1cc(C)cc4c1B3c1c(cc(C)cc1[Si]4(C)c1ccccc1)N2c1ccccc1-c1ccccn1.Cc1ccc(N2c3cc(C)cc4c3B3c5c2cccc5[Si](C)(c2ccccc2)c2cccc(c23)N4c2ccc(C)cc2-c2ccccn2)c(-c2ccccn2)c1.

What is the InChIKey of 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

The InChIKey is RVYXWARPYMVEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H51BN4Si.C51H41BN4Si.2C50H39BN4Si/c1-36-32-48-52-49(33-36)61(45-29-27-38(56(5,6)7)35-41(45)43-21-13-15-31-59-43)47-23-17-25-51-54(47)57(52)53-46(22-16-24-50(53)62(51,8)39-18-10-9-11-19-39)60(48)44-28-26-37(55(2,3)4)34-40(44)42-20-12-14-30-58-42;1-51(2,3)34-32-44-48-45(33-34)56(41-25-11-9-21-37(41)39-23-13-15-31-54-39)43-27-17-29-47-50(43)52(48)49-42(26-16-28-46(49)57(47,4)35-18-6-5-7-19-35)55(44)40-24-10-8-20-36(40)38-22-12-14-30-53-38;1-32-26-42-48-43(27-32)55(41-23-11-9-19-37(41)39-21-13-15-25-53-39)45-29-34(3)31-47-50(45)51(48)49-44(28-33(2)30-46(49)56(47,4)35-16-6-5-7-17-35)54(42)40-22-10-8-18-36(40)38-20-12-14-24-52-38;1-32-22-24-40(36(28-32)38-16-8-10-26-52-38)54-42-18-12-20-46-49(42)51-48-44(54)30-34(3)31-45(48)55(41-25-23-33(2)29-37(41)39-17-9-11-27-53-39)43-19-13-21-47(50(43)51)56(46,4)35-14-6-5-7-15-35/h9-35H,1-8H3;5-33H,1-4H3;2*5-31H,1-4H3.

What are the key properties of 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene?

8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene has a molecular weight of 3037.34 g/mol, XLogP of 35.28, 20 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(4-tert-butyl-2-pyridin-2-ylphenyl)-11,22-dimethyl-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11-tert-butyl-22-methyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;11,22-dimethyl-8,14-bis(4-methyl-2-pyridin-2-ylphenyl)-22-phenyl-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene;5,11,17,22-tetramethyl-22-phenyl-8,14-bis(2-pyridin-2-ylphenyl)-8,14-diaza-22-sila-1-borahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene is sourced from PubChem (CID 160744129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).