3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane

C369H389B9N18Si7 — CID 167614828

About 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane

3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane (PubChem CID 167614828) has the molecular formula C369H389B9N18Si7 and a molecular weight of 5370.21 g/mol. Its IUPAC name is 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane.

Molecular Properties

• Compound Name: 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane
• PubChem CID: 167614828
• Molecular Formula: C369H389B9N18Si7
• Molecular Weight: 5370.21 g/mol
• Exact Mass: 5367.02
• IUPAC Name: 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane
• SMILES: Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cccc(C(C)(c4cccc5c4B4c6cc(C(C)(C)C)ccc6N(c6ccc(C(C)(C)C)cc6)c6cc(C)cc(c64)N5c4ccc(C(C)(C)C)cc4)c4cccc5c4B4c6cc(C(C)(C)C)ccc6N(c6ccc(C(C)(C)C)cc6)c6cc(C)cc(c64)N5c4ccc(C(C)(C)C)cc4)c1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4c(C(c5ccc6c7c5N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5B7c5cc(C)ccc5N6c5ccc([Si](C)(C)C)cc5)c5ccc6c7c5N(c5ccc(C)cc5)c5ccc(C(C)(C)C)cc5B7c5cc(C(C)(C)C)ccc5N6c5ccc([Si](C)(C)C)cc5)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(C)ccc4N(c4ccc([Si](C)(C)C)cc4)c4c(C(c5ccc6c7c5N(c5ccc(C)cc5)c5ccc(C)cc5B7c5cc(C)ccc5N6c5ccc([Si](C)(C)C)cc5)c5ccc6c7c5N(c5ccc(C)cc5)c5ccc([Si](C)(C)C)cc5B7c5cc([Si](C)(C)C)ccc5N6c5ccc([Si](C)(C)C)cc5)ccc2c43)cc1
• InChI: InChI=1S/C131H141B3N6.C125H133B3N6Si2.C113H115B3N6Si5/c1-80-71-110-119-113(74-80)138(95-62-47-86(48-63-95)125(13,14)15)107-38-32-35-98(116(107)132(119)101-77-89(128(22,23)24)53-68-104(101)135(110)92-56-41-83(42-57-92)122(4,5)6)131(31,99-36-33-39-108-117(99)133-102-78-90(129(25,26)27)54-69-105(102)136(93-58-43-84(44-59-93)123(7,8)9)111-72-81(2)75-114(120(111)133)139(108)96-64-49-87(50-65-96)126(16,17)18)100-37-34-40-109-118(100)134-103-79-91(130(28,29)30)55-70-106(103)137(94-60-45-85(46-61-94)124(10,11)12)112-73-82(3)76-115(121(112)134)140(109)97-66-51-88(52-67-97)127(19,20)21;1-77-29-43-87(44-30-77)129-104-62-33-79(3)71-98(104)126-101-74-84(123(14,15)16)40-65-107(101)133(91-47-35-81(36-48-91)120(5,6)7)117-95(59-68-110(129)114(117)126)113(96-60-69-111-115-118(96)134(92-49-37-82(38-50-92)121(8,9)10)108-66-41-85(124(17,18)19)75-102(108)127(115)99-72-80(4)34-63-105(99)130(111)88-51-55-93(56-52-88)135(23,24)25)97-61-70-112-116-119(97)132(90-45-31-78(2)32-46-90)109-67-42-86(125(20,21)22)76-103(109)128(116)100-73-83(122(11,12)13)39-64-106(100)131(112)89-53-57-94(58-54-89)136(26,27)28;1-71-23-33-78(34-24-71)117-98-56-29-74(4)65-92(98)114-95-68-77(7)32-59-102(95)122(83-43-49-86(50-44-83)125(14,15)16)112-90(53-62-104(117)108(112)114)107(89-54-63-105-109-111(89)120(81-35-25-72(2)26-36-81)101-58-31-76(6)67-94(101)115(109)93-66-75(5)30-57-99(93)118(105)79-39-45-84(46-40-79)123(8,9)10)91-55-64-106-110-113(91)121(82-37-27-73(3)28-38-82)103-61-52-88(127(20,21)22)70-97(103)116(110)96-69-87(126(17,18)19)51-60-100(96)119(106)80-41-47-85(48-42-80)124(11,12)13/h32-79H,1-31H3;29-76,113H,1-28H3;23-70,107H,1-22H3
• InChIKey: LPADCLUJWWWILZ-UHFFFAOYSA-N
• XLogP: 79.11
• TPSA: 58.32 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 34
• Heavy Atoms: 403
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5370.21
LogP ≤ 5	79.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane?

The IUPAC name of 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane (CID 167614828) is 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane.

What is the SMILES notation for 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane?

The canonical SMILES for 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane is Cc1cc2c3c(c1)N(c1ccc(C(C)(C)C)cc1)c1cccc(C(C)(c4cccc5c4B4c6cc(C(C)(C)C)ccc6N(c6ccc(C(C)(C)C)cc6)c6cc(C)cc(c64)N5c4ccc(C(C)(C)C)cc4)c4cccc5c4B4c6cc(C(C)(C)C)ccc6N(c6ccc(C(C)(C)C)cc6)c6cc(C)cc(c64)N5c4ccc(C(C)(C)C)cc4)c1B3c1cc(C(C)(C)C)ccc1N2c1ccc(C(C)(C)C)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)C)cc4)c4c(C(c5ccc6c7c5N(c5ccc(C(C)(C)C)cc5)c5ccc(C(C)(C)C)cc5B7c5cc(C)ccc5N6c5ccc([Si](C)(C)C)cc5)c5ccc6c7c5N(c5ccc(C)cc5)c5ccc(C(C)(C)C)cc5B7c5cc(C(C)(C)C)ccc5N6c5ccc([Si](C)(C)C)cc5)ccc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(C)ccc4N(c4ccc([Si](C)(C)C)cc4)c4c(C(c5ccc6c7c5N(c5ccc(C)cc5)c5ccc(C)cc5B7c5cc(C)ccc5N6c5ccc([Si](C)(C)C)cc5)c5ccc6c7c5N(c5ccc(C)cc5)c5ccc([Si](C)(C)C)cc5B7c5cc([Si](C)(C)C)ccc5N6c5ccc([Si](C)(C)C)cc5)ccc2c43)cc1.

What is the InChIKey of 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane?

The InChIKey is LPADCLUJWWWILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C131H141B3N6.C125H133B3N6Si2.C113H115B3N6Si5/c1-80-71-110-119-113(74-80)138(95-62-47-86(48-63-95)125(13,14)15)107-38-32-35-98(116(107)132(119)101-77-89(128(22,23)24)53-68-104(101)135(110)92-56-41-83(42-57-92)122(4,5)6)131(31,99-36-33-39-108-117(99)133-102-78-90(129(25,26)27)54-69-105(102)136(93-58-43-84(44-59-93)123(7,8)9)111-72-81(2)75-114(120(111)133)139(108)96-64-49-87(50-65-96)126(16,17)18)100-37-34-40-109-118(100)134-103-79-91(130(28,29)30)55-70-106(103)137(94-60-45-85(46-61-94)124(10,11)12)112-73-82(3)76-115(121(112)134)140(109)97-66-51-88(52-67-97)127(19,20)21;1-77-29-43-87(44-30-77)129-104-62-33-79(3)71-98(104)126-101-74-84(123(14,15)16)40-65-107(101)133(91-47-35-81(36-48-91)120(5,6)7)117-95(59-68-110(129)114(117)126)113(96-60-69-111-115-118(96)134(92-49-37-82(38-50-92)121(8,9)10)108-66-41-85(124(17,18)19)75-102(108)127(115)99-72-80(4)34-63-105(99)130(111)88-51-55-93(56-52-88)135(23,24)25)97-61-70-112-116-119(97)132(90-45-31-78(2)32-46-90)109-67-42-86(125(20,21)22)76-103(109)128(116)100-73-83(122(11,12)13)39-64-106(100)131(112)89-53-57-94(58-54-89)136(26,27)28;1-71-23-33-78(34-24-71)117-98-56-29-74(4)65-92(98)114-95-68-77(7)32-59-102(95)122(83-43-49-86(50-44-83)125(14,15)16)112-90(53-62-104(117)108(112)114)107(89-54-63-105-109-111(89)120(81-35-25-72(2)26-36-81)101-58-31-76(6)67-94(101)115(109)93-66-75(5)30-57-99(93)118(105)79-39-45-84(46-40-79)123(8,9)10)91-55-64-106-110-113(91)121(82-37-27-73(3)28-38-82)103-61-52-88(127(20,21)22)70-97(103)116(110)96-69-87(126(17,18)19)51-60-100(96)119(106)80-41-47-85(48-42-80)124(11,12)13/h32-79H,1-31H3;29-76,113H,1-28H3;23-70,107H,1-22H3.

What are the key properties of 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane?

3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane has a molecular weight of 5370.21 g/mol, XLogP of 79.11, 34 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1,1-bis[18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaen-3-yl]ethyl]-18-tert-butyl-8,14-bis(4-tert-butylphenyl)-11-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15(20),16,18-nonaene;[4-[18-tert-butyl-12-[[4-tert-butyl-8-(4-tert-butylphenyl)-18-methyl-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-nonaen-10-yl]-[4,18-ditert-butyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-tert-butylphenyl)-4-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane;[4-[12-[[4,18-dimethyl-8-(4-methylphenyl)-14-(4-trimethylsilylphenyl)-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-nonaen-10-yl]-[4,18-dimethyl-14-(4-methylphenyl)-8-(4-trimethylsilylphenyl)-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-nonaen-10-yl]methyl]-14-(4-methylphenyl)-4,18-bis(trimethylsilyl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaen-8-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 167614828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).