8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene

C208H192B4N8Si4 — CID 159888815

About 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene

8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene (PubChem CID 159888815) has the molecular formula C208H192B4N8Si4 and a molecular weight of 2959.47 g/mol. Its IUPAC name is 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene.

Molecular Properties

• Compound Name: 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene
• PubChem CID: 159888815
• Molecular Formula: C208H192B4N8Si4
• Molecular Weight: 2959.47 g/mol
• Exact Mass: 2957.47
• IUPAC Name: 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene
• SMILES: CC(C)(C)c1ccc(N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4C23CC4CC(CC(C4)C2)C3)cc1.c1ccc(N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4C23CC4CC(CC(C4)C2)C3)cc1.c1ccc([Si]2(c3ccccc3)c3cccc4c3B3c5c(cccc5N(C56CC7CC(CC(C7)C5)C6)c5cccc2c53)N4C23CC4CC(CC(C4)C2)C3)cc1.c1ccc([Si]2(c3ccccc3)c3cccc4c3B3c5c(cccc5N(c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)c5cccc2c53)N4c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1
• InChI: InChI=1S/C62H57BN2Si.C50H49BN2Si.C50H47BN2Si.C46H39BN2Si/c1-3-10-50(11-4-1)66(51-12-5-2-6-13-51)56-18-8-16-54-59(56)63-58-52(64(54)48-24-20-46(21-25-48)61-34-40-28-41(35-61)30-42(29-40)36-61)14-7-15-53(58)65(55-17-9-19-57(66)60(55)63)49-26-22-47(23-27-49)62-37-43-31-44(38-62)33-45(32-43)39-62;1-3-10-38(11-4-1)54(39-12-5-2-6-13-39)44-18-8-16-42-47(44)51-46-40(52(42)49-26-32-20-33(27-49)22-34(21-32)28-49)14-7-15-41(46)53(43-17-9-19-45(54)48(43)51)50-29-35-23-36(30-50)25-37(24-35)31-50;1-49(2,3)36-23-25-37(26-24-36)52-40-17-10-19-42-46(40)51-47-41(52)18-11-21-44(47)54(38-13-6-4-7-14-38,39-15-8-5-9-16-39)45-22-12-20-43(48(45)51)53(42)50-30-33-27-34(31-50)29-35(28-33)32-50;1-4-13-34(14-5-1)48-37-19-10-21-39-43(37)47-44-38(48)20-11-23-41(44)50(35-15-6-2-7-16-35,36-17-8-3-9-18-36)42-24-12-22-40(45(42)47)49(39)46-28-31-25-32(29-46)27-33(26-31)30-46/h1-27,40-45H,28-39H2;1-19,32-37H,20-31H2;4-26,33-35H,27-32H2,1-3H3;1-24,31-33H,25-30H2
• InChIKey: NUMDRUHDJUSIAA-UHFFFAOYSA-N
• XLogP: 30.62
• TPSA: 25.92 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 18
• Heavy Atoms: 224
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2959.47
LogP ≤ 5	30.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene?

The IUPAC name of 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene (CID 159888815) is 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene.

What is the SMILES notation for 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene?

The canonical SMILES for 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene is CC(C)(C)c1ccc(N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4C23CC4CC(CC(C4)C2)C3)cc1.c1ccc(N2c3cccc4c3B3c5c2cccc5[Si](c2ccccc2)(c2ccccc2)c2cccc(c23)N4C23CC4CC(CC(C4)C2)C3)cc1.c1ccc([Si]2(c3ccccc3)c3cccc4c3B3c5c(cccc5N(C56CC7CC(CC(C7)C5)C6)c5cccc2c53)N4C23CC4CC(CC(C4)C2)C3)cc1.c1ccc([Si]2(c3ccccc3)c3cccc4c3B3c5c(cccc5N(c5ccc(C67CC8CC(CC(C8)C6)C7)cc5)c5cccc2c53)N4c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1.

What is the InChIKey of 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene?

The InChIKey is NUMDRUHDJUSIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H57BN2Si.C50H49BN2Si.C50H47BN2Si.C46H39BN2Si/c1-3-10-50(11-4-1)66(51-12-5-2-6-13-51)56-18-8-16-54-59(56)63-58-52(64(54)48-24-20-46(21-25-48)61-34-40-28-41(35-61)30-42(29-40)36-61)14-7-15-53(58)65(55-17-9-19-57(66)60(55)63)49-26-22-47(23-27-49)62-37-43-31-44(38-62)33-45(32-43)39-62;1-3-10-38(11-4-1)54(39-12-5-2-6-13-39)44-18-8-16-42-47(44)51-46-40(52(42)49-26-32-20-33(27-49)22-34(21-32)28-49)14-7-15-41(46)53(43-17-9-19-45(54)48(43)51)50-29-35-23-36(30-50)25-37(24-35)31-50;1-49(2,3)36-23-25-37(26-24-36)52-40-17-10-19-42-46(40)51-47-41(52)18-11-21-44(47)54(38-13-6-4-7-14-38,39-15-8-5-9-16-39)45-22-12-20-43(48(45)51)53(42)50-30-33-27-34(31-50)29-35(28-33)32-50;1-4-13-34(14-5-1)48-37-19-10-21-39-43(37)47-44-38(48)20-11-23-41(44)50(35-15-6-2-7-16-35,36-17-8-3-9-18-36)42-24-12-22-40(45(42)47)49(39)46-28-31-25-32(29-46)27-33(26-31)30-46/h1-27,40-45H,28-39H2;1-19,32-37H,20-31H2;4-26,33-35H,27-32H2,1-3H3;1-24,31-33H,25-30H2.

What are the key properties of 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene?

8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene has a molecular weight of 2959.47 g/mol, XLogP of 30.62, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(1-adamantyl)-14-(4-tert-butylphenyl)-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;8-(1-adamantyl)-14,22,22-triphenyl-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(1-adamantyl)-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;8,14-bis[4-(1-adamantyl)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(21),10,12,15(20),16,18-nonaene is sourced from PubChem (CID 159888815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).