8,14-bis(2,6-diphenylphenyl)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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

C180H125B3F6N6Si3 — CID 158099522

About 8,14-bis(2,6-diphenylphenyl)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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 158099522) has the molecular formula C180H125B3F6N6Si3 and a molecular weight of 2612.77 g/mol. Its IUPAC name is 8,14-bis(2,6-diphenylphenyl)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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: 158099522
• Molecular Formula: C180H125B3F6N6Si3
• Molecular Weight: 2612.77 g/mol
• Exact Mass: 2611.01
• IUPAC Name: 8,14-bis(2,6-diphenylphenyl)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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: FC(F)(F)c1ccc(-c2ccccc2N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1.[2H]c1c([2H])c([2H])c(-c2ccccc2N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cc(C(C)(C)C)cc(c23)N4c2ccccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2cccc(-c3ccccc3)c2N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1
• InChI: InChI=1S/C66H45BN2Si.C58H45BN2Si.C56H35BF6N2Si/c1-7-24-46(25-8-1)52-36-19-37-53(47-26-9-2-10-27-47)65(52)68-56-40-21-41-57-62(56)67-63-58(68)42-22-44-60(63)70(50-32-15-5-16-33-50,51-34-17-6-18-35-51)61-45-23-43-59(64(61)67)69(57)66-54(48-28-11-3-12-29-48)38-20-39-55(66)49-30-13-4-14-31-49;1-58(2,3)42-38-52-57-54(39-42)62(43-26-12-6-13-27-43,44-28-14-7-15-29-44)53-37-21-36-51-56(53)59(57)55-49(60(51)47-32-18-16-30-45(47)40-22-8-4-9-23-40)34-20-35-50(55)61(52)48-33-19-17-31-46(48)41-24-10-5-11-25-41;58-55(59,60)38-32-28-36(29-33-38)42-18-7-9-20-44(42)64-46-22-11-23-47-52(46)57-53-48(64)24-12-26-50(53)66(40-14-3-1-4-15-40,41-16-5-2-6-17-41)51-27-13-25-49(54(51)57)65(47)45-21-10-8-19-43(45)37-30-34-39(35-31-37)56(61,62)63/h1-45H;4-39H,1-3H3;1-35H/i;4D,5D,8D,9D,10D,11D,22D,23D,24D,25D
• InChIKey: FPBXHKMVNWGUJK-ZAGIKDKVSA-N
• XLogP: 33.05
• TPSA: 19.44 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2612.77
LogP ≤ 5	33.05
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)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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 158099522) is 8,14-bis(2,6-diphenylphenyl)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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 FC(F)(F)c1ccc(-c2ccccc2N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1.[2H]c1c([2H])c([2H])c(-c2ccccc2N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cc(C(C)(C)C)cc(c23)N4c2ccccc2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].c1ccc(-c2cccc(-c3ccccc3)c2N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4c2c(-c3ccccc3)cccc2-c2ccccc2)cc1.

What is the InChIKey of 8,14-bis(2,6-diphenylphenyl)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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 FPBXHKMVNWGUJK-ZAGIKDKVSA-N. The full InChI is InChI=1S/C66H45BN2Si.C58H45BN2Si.C56H35BF6N2Si/c1-7-24-46(25-8-1)52-36-19-37-53(47-26-9-2-10-27-47)65(52)68-56-40-21-41-57-62(56)67-63-58(68)42-22-44-60(63)70(50-32-15-5-16-33-50,51-34-17-6-18-35-51)61-45-23-43-59(64(61)67)69(57)66-54(48-28-11-3-12-29-48)38-20-39-55(66)49-30-13-4-14-31-49;1-58(2,3)42-38-52-57-54(39-42)62(43-26-12-6-13-27-43,44-28-14-7-15-29-44)53-37-21-36-51-56(53)59(57)55-49(60(51)47-32-18-16-30-45(47)40-22-8-4-9-23-40)34-20-35-50(55)61(52)48-33-19-17-31-46(48)41-24-10-5-11-25-41;58-55(59,60)38-32-28-36(29-33-38)42-18-7-9-20-44(42)64-46-22-11-23-47-52(46)57-53-48(64)24-12-26-50(53)66(40-14-3-1-4-15-40,41-16-5-2-6-17-41)51-27-13-25-49(54(51)57)65(47)45-21-10-8-19-43(45)37-30-34-39(35-31-37)56(61,62)63/h1-45H;4-39H,1-3H3;1-35H/i;4D,5D,8D,9D,10D,11D,22D,23D,24D,25D;.

What are the key properties of 8,14-bis(2,6-diphenylphenyl)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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 2612.77 g/mol, XLogP of 33.05, 20 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)-22,22-diphenyl-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-8,14-bis[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-22,22-diphenyl-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;22,22-diphenyl-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 158099522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).