11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene

C286H320B6N12 — CID 162085615

About 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene

11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene (PubChem CID 162085615) has the molecular formula C286H320B6N12 and a molecular weight of 3990.66 g/mol. Its IUPAC name is 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene.

Molecular Properties

• Compound Name: 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene
• PubChem CID: 162085615
• Molecular Formula: C286H320B6N12
• Molecular Weight: 3990.66 g/mol
• Exact Mass: 3988.60
• IUPAC Name: 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene
• SMILES: CC(C)(C)c1cc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C5CCCCC5)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C5CCCCC5)cc2c43)cc1.CC(C)c1ccc(N2c3ccc(C(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)C)cc2c43)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)C)cc1)c1ccc(C(C)C)cc1B3c1cc(C(C)C)ccc1N2c1ccc(C(C)C)cc1.Cc1ccc(N2c3cc(C)ccc3B3c4cc(C)ccc4N(c4ccccc4C)c4cc(C56CC7CC(CC(C7)C5)C6)cc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccc5ccccc5c4N(c4ccccc4)c4cc(C5CCCCC5)cc2c43)cc1
• InChI: InChI=1S/C60H79BN2.C52H63BN2.C47H55BN2.C44H43BN2.C43H47BN2.C40H33BN2/c1-55(2,3)40-24-26-50-48(36-40)61-49-37-41(56(4,5)6)25-27-51(49)63(47-34-44(59(13,14)15)31-45(35-47)60(16,17)18)53-29-39(38-22-20-19-21-23-38)28-52(54(53)61)62(50)46-32-42(57(7,8)9)30-43(33-46)58(10,11)12;1-49(2,3)36-18-24-40(25-19-36)54-44-28-22-38(51(7,8)9)32-42(44)53-43-33-39(52(10,11)12)23-29-45(43)55(41-26-20-37(21-27-41)50(4,5)6)47-31-35(30-46(54)48(47)53)34-16-14-13-15-17-34;1-29(2)32-13-19-37(20-14-32)49-41-23-15-33(30(3)4)25-39(41)48-40-28-36(47(10,11)12)18-24-42(40)50(38-21-16-35(17-22-38)46(7,8)9)44-27-34(31(5)6)26-43(49)45(44)48;1-27-9-13-35(14-10-27)46-40-18-29(3)11-15-36(40)45-37-17-28(2)12-16-39(37)47(38-8-6-5-7-30(38)4)42-23-34(22-41(46)43(42)45)44-24-31-19-32(25-44)21-33(20-31)26-44;1-26(2)31-10-16-35(17-11-31)45-39-20-14-33(28(5)6)24-37(39)44-38-25-34(29(7)8)15-21-40(38)46(36-18-12-32(13-19-36)27(3)4)42-23-30(9)22-41(45)43(42)44;1-4-14-28(15-5-1)30-26-37-39-38(27-30)43(32-19-8-3-9-20-32)40-33-21-11-10-16-29(33)24-25-35(40)41(39)34-22-12-13-23-36(34)42(37)31-17-6-2-7-18-31/h24-38H,19-23H2,1-18H3;18-34H,13-17H2,1-12H3;13-31H,1-12H3;5-18,22-23,31-33H,19-21,24-26H2,1-4H3;10-29H,1-9H3;2-3,6-13,16-28H,1,4-5,14-15H2
• InChIKey: ZCXNIDQQQMZJOC-UHFFFAOYSA-N
• XLogP: 69.36
• TPSA: 38.88 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 304
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3990.66
LogP ≤ 5	69.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene?

The IUPAC name of 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene (CID 162085615) is 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene.

What is the SMILES notation for 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene?

The canonical SMILES for 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene is CC(C)(C)c1cc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(C5CCCCC5)cc2c43)cc(C(C)(C)C)c1.CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C5CCCCC5)cc2c43)cc1.CC(C)c1ccc(N2c3ccc(C(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4cc(C(C)C)cc2c43)cc1.Cc1cc2c3c(c1)N(c1ccc(C(C)C)cc1)c1ccc(C(C)C)cc1B3c1cc(C(C)C)ccc1N2c1ccc(C(C)C)cc1.Cc1ccc(N2c3cc(C)ccc3B3c4cc(C)ccc4N(c4ccccc4C)c4cc(C56CC7CC(CC(C7)C5)C6)cc2c43)cc1.c1ccc(N2c3ccccc3B3c4ccc5ccccc5c4N(c4ccccc4)c4cc(C5CCCCC5)cc2c43)cc1.

What is the InChIKey of 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene?

The InChIKey is ZCXNIDQQQMZJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H79BN2.C52H63BN2.C47H55BN2.C44H43BN2.C43H47BN2.C40H33BN2/c1-55(2,3)40-24-26-50-48(36-40)61-49-37-41(56(4,5)6)25-27-51(49)63(47-34-44(59(13,14)15)31-45(35-47)60(16,17)18)53-29-39(38-22-20-19-21-23-38)28-52(54(53)61)62(50)46-32-42(57(7,8)9)30-43(33-46)58(10,11)12;1-49(2,3)36-18-24-40(25-19-36)54-44-28-22-38(51(7,8)9)32-42(44)53-43-33-39(52(10,11)12)23-29-45(43)55(41-26-20-37(21-27-41)50(4,5)6)47-31-35(30-46(54)48(47)53)34-16-14-13-15-17-34;1-29(2)32-13-19-37(20-14-32)49-41-23-15-33(30(3)4)25-39(41)48-40-28-36(47(10,11)12)18-24-42(40)50(38-21-16-35(17-22-38)46(7,8)9)44-27-34(31(5)6)26-43(49)45(44)48;1-27-9-13-35(14-10-27)46-40-18-29(3)11-15-36(40)45-37-17-28(2)12-16-39(37)47(38-8-6-5-7-30(38)4)42-23-34(22-41(46)43(42)45)44-24-31-19-32(25-44)21-33(20-31)26-44;1-26(2)31-10-16-35(17-11-31)45-39-20-14-33(28(5)6)24-37(39)44-38-25-34(29(7)8)15-21-40(38)46(36-18-12-32(13-19-36)27(3)4)42-23-30(9)22-41(45)43(42)44;1-4-14-28(15-5-1)30-26-37-39-38(27-30)43(32-19-8-3-9-20-32)40-33-21-11-10-16-29(33)24-25-35(40)41(39)34-22-12-13-23-36(34)42(37)31-17-6-2-7-18-31/h24-38H,19-23H2,1-18H3;18-34H,13-17H2,1-12H3;13-31H,1-12H3;5-18,22-23,31-33H,19-21,24-26H2,1-4H3;10-29H,1-9H3;2-3,6-13,16-28H,1,4-5,14-15H2.

What are the key properties of 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene?

11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene has a molecular weight of 3990.66 g/mol, XLogP of 69.36, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 11-(1-adamantyl)-4,17-dimethyl-8-(2-methylphenyl)-14-(4-methylphenyl)-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-nonaene;4-tert-butyl-8-(4-tert-butylphenyl)-11,18-di(propan-2-yl)-14-(4-propan-2-ylphenyl)-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-nonaene;15-cyclohexyl-12,18-diphenyl-12,18-diaza-1-borahexacyclo[11.11.1.02,11.05,10.017,25.019,24]pentacosa-2(11),3,5,7,9,13,15,17(25),19,21,23-undecaene;4,18-ditert-butyl-8,14-bis(4-tert-butylphenyl)-11-cyclohexyl-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-nonaene;4,18-ditert-butyl-11-cyclohexyl-8,14-bis(3,5-ditert-butylphenyl)-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-nonaene;11-methyl-4,18-di(propan-2-yl)-8,14-bis(4-propan-2-ylphenyl)-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-nonaene is sourced from PubChem (CID 162085615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).