8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene

C165H119B3F6N6Si3 — CID 162237266

About 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene

8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene (PubChem CID 162237266) has the molecular formula C165H119B3F6N6Si3 and a molecular weight of 2426.55 g/mol. Its IUPAC name is 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene
• PubChem CID: 162237266
• Molecular Formula: C165H119B3F6N6Si3
• Molecular Weight: 2426.55 g/mol
• Exact Mass: 2424.96
• IUPAC Name: 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene
• SMILES: C[Si]1(c2ccccc2)c2cccc3c2B2c4c(cccc4N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4cccc1c42)N3c1c(-c2ccccc2)cccc1-c1ccccc1.C[Si]1(c2ccccc2)c2cccc3c2B2c4c(cccc4N(c4ccccc4-c4ccc(C(F)(F)F)cc4)c4cccc1c42)N3c1ccccc1-c1ccc(C(F)(F)F)cc1.[2H]c1c([2H])c([2H])c(-c2ccccc2N2c3cccc4c3B3c5c2cccc5[Si](C)(c2ccccc2)c2cc(C(C)(C)C)cc(c23)N4c2ccccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
• InChI: InChI=1S/C61H43BN2Si.C53H43BN2Si.C51H33BF6N2Si/c1-65(46-30-15-6-16-31-46)55-40-20-38-53-58(55)62-57-51(63(53)60-47(42-22-7-2-8-23-42)32-17-33-48(60)43-24-9-3-10-25-43)36-19-37-52(57)64(54-39-21-41-56(65)59(54)62)61-49(44-26-11-4-12-27-44)34-18-35-50(61)45-28-13-5-14-29-45;1-53(2,3)38-34-47-52-49(35-38)57(4,39-24-12-7-13-25-39)48-33-19-32-46-51(48)54(52)50-44(55(46)42-28-16-14-26-40(42)36-20-8-5-9-21-36)30-18-31-45(50)56(47)43-29-17-15-27-41(43)37-22-10-6-11-23-37;1-61(36-12-3-2-4-13-36)45-22-10-20-43-48(45)52-47-41(59(43)39-16-7-5-14-37(39)32-24-28-34(29-25-32)50(53,54)55)18-9-19-42(47)60(44-21-11-23-46(61)49(44)52)40-17-8-6-15-38(40)33-26-30-35(31-27-33)51(56,57)58/h2-41H,1H3;5-35H,1-4H3;2-31H,1H3/i;5D,6D,8D,9D,10D,11D,20D,21D,22D,23D
• InChIKey: ZWFNLZZHPIVFFT-NSTZJZIHSA-N
• XLogP: 32.22
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 17
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2426.55
LogP ≤ 5	32.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene?

The IUPAC name of 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene (CID 162237266) is 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene.

What is the SMILES notation for 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene?

The canonical SMILES for 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene is C[Si]1(c2ccccc2)c2cccc3c2B2c4c(cccc4N(c4c(-c5ccccc5)cccc4-c4ccccc4)c4cccc1c42)N3c1c(-c2ccccc2)cccc1-c1ccccc1.C[Si]1(c2ccccc2)c2cccc3c2B2c4c(cccc4N(c4ccccc4-c4ccc(C(F)(F)F)cc4)c4cccc1c42)N3c1ccccc1-c1ccc(C(F)(F)F)cc1.[2H]c1c([2H])c([2H])c(-c2ccccc2N2c3cccc4c3B3c5c2cccc5[Si](C)(c2ccccc2)c2cc(C(C)(C)C)cc(c23)N4c2ccccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].

What is the InChIKey of 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene?

The InChIKey is ZWFNLZZHPIVFFT-NSTZJZIHSA-N. The full InChI is InChI=1S/C61H43BN2Si.C53H43BN2Si.C51H33BF6N2Si/c1-65(46-30-15-6-16-31-46)55-40-20-38-53-58(55)62-57-51(63(53)60-47(42-22-7-2-8-23-42)32-17-33-48(60)43-24-9-3-10-25-43)36-19-37-52(57)64(54-39-21-41-56(65)59(54)62)61-49(44-26-11-4-12-27-44)34-18-35-50(61)45-28-13-5-14-29-45;1-53(2,3)38-34-47-52-49(35-38)57(4,39-24-12-7-13-25-39)48-33-19-32-46-51(48)54(52)50-44(55(46)42-28-16-14-26-40(42)36-20-8-5-9-21-36)30-18-31-45(50)56(47)43-29-17-15-27-41(43)37-22-10-6-11-23-37;1-61(36-12-3-2-4-13-36)45-22-10-20-43-48(45)52-47-41(59(43)39-16-7-5-14-37(39)32-24-28-34(29-25-32)50(53,54)55)18-9-19-42(47)60(44-21-11-23-46(61)49(44)52)40-17-8-6-15-38(40)33-26-30-35(31-27-33)51(56,57)58/h2-41H,1H3;5-35H,1-4H3;2-31H,1H3/i;5D,6D,8D,9D,10D,11D,20D,21D,22D,23D;.

What are the key properties of 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene?

8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene has a molecular weight of 2426.55 g/mol, XLogP of 32.22, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8,14-bis(2,6-diphenylphenyl)-22-methyl-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(21),10,12,15(20),16,18-nonaene;5-tert-butyl-22-methyl-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-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;22-methyl-22-phenyl-8,14-bis[2-[4-(trifluoromethyl)phenyl]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(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 162237266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).