[4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane

C393H426B9N27Si9 — CID 167613646

About [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane

[4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane (PubChem CID 167613646) has the molecular formula C393H426B9N27Si9 and a molecular weight of 5878.00 g/mol. Its IUPAC name is [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane.

Molecular Properties

• Compound Name: [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane
• PubChem CID: 167613646
• Molecular Formula: C393H426B9N27Si9
• Molecular Weight: 5878.00 g/mol
• Exact Mass: 5874.29
• IUPAC Name: [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane
• SMILES: Cc1ccc(N2c3ccc(C)cc3B3c4cc(-c5nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C(C)(C)C)cc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C(C)(C)C)cc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)n5)ccc4N(c4ccc([Si](C(C)C)(C(C)C)C(C)C)cc4)c4cc(C(C)(C)C)cc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(-c5nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C)cc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C)cc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)n5)ccc4N(c4ccc([Si](C(C)C)(C(C)C)C(C)C)cc4)c4cc(C)cc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(-c5nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cccc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cccc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)n5)ccc4N(c4ccc([Si](C(C)C)(C(C)C)C(C)C)cc4)c4cccc2c43)cc1
• InChI: InChI=1S/C138H156B3N9Si3.C129H138B3N9Si3.C126H132B3N9Si3/c1-82(2)151(83(3)4,84(5)6)109-58-52-106(53-59-109)148-121-67-43-97(73-115(121)139-112-70-94(22)40-64-118(112)145(103-46-34-91(19)35-47-103)124-76-100(136(25,26)27)79-127(148)130(124)139)133-142-134(98-44-68-122-116(74-98)140-113-71-95(23)41-65-119(113)146(104-48-36-92(20)37-49-104)125-77-101(137(28,29)30)80-128(131(125)140)149(122)107-54-60-110(61-55-107)152(85(7)8,86(9)10)87(11)12)144-135(143-133)99-45-69-123-117(75-99)141-114-72-96(24)42-66-120(114)147(105-50-38-93(21)39-51-105)126-78-102(138(31,32)33)81-129(132(126)141)150(123)108-56-62-111(63-57-108)153(88(13)14,89(15)16)90(17)18;1-76(2)142(77(3)4,78(5)6)103-52-46-100(47-53-103)139-115-61-37-94(73-109(115)130-106-64-88(22)34-58-112(106)136(97-40-28-85(19)29-41-97)118-67-91(25)70-121(139)124(118)130)127-133-128(95-38-62-116-110(74-95)131-107-65-89(23)35-59-113(107)137(98-42-30-86(20)31-43-98)119-68-92(26)71-122(125(119)131)140(116)101-48-54-104(55-49-101)143(79(7)8,80(9)10)81(11)12)135-129(134-127)96-39-63-117-111(75-96)132-108-66-90(24)36-60-114(108)138(99-44-32-87(21)33-45-99)120-69-93(27)72-123(126(120)132)141(117)102-50-56-105(57-51-102)144(82(13)14,83(15)16)84(17)18;1-76(2)139(77(3)4,78(5)6)100-58-52-97(53-59-100)136-112-67-43-91(73-106(112)127-103-70-88(22)40-64-109(103)133(94-46-34-85(19)35-47-94)115-28-25-31-118(136)121(115)127)124-130-125(92-44-68-113-107(74-92)128-104-71-89(23)41-65-110(104)134(95-48-36-86(20)37-49-95)116-29-26-32-119(122(116)128)137(113)98-54-60-101(61-55-98)140(79(7)8,80(9)10)81(11)12)132-126(131-124)93-45-69-114-108(75-93)129-105-72-90(24)42-66-111(105)135(96-50-38-87(21)39-51-96)117-30-27-33-120(123(117)129)138(114)99-56-62-102(63-57-99)141(82(13)14,83(15)16)84(17)18/h34-90H,1-33H3;28-84H,1-27H3;25-84H,1-24H3
• InChIKey: LKONKBFQIKJVOZ-UHFFFAOYSA-N
• XLogP: 87.70
• TPSA: 174.33 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 63
• Heavy Atoms: 438
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	5878.00
LogP ≤ 5	87.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane?

The IUPAC name of [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane (CID 167613646) is [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane.

What is the SMILES notation for [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane?

The canonical SMILES for [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane is Cc1ccc(N2c3ccc(C)cc3B3c4cc(-c5nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C(C)(C)C)cc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C(C)(C)C)cc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)n5)ccc4N(c4ccc([Si](C(C)C)(C(C)C)C(C)C)cc4)c4cc(C(C)(C)C)cc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(-c5nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C)cc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cc(C)cc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)n5)ccc4N(c4ccc([Si](C(C)C)(C(C)C)C(C)C)cc4)c4cc(C)cc2c43)cc1.Cc1ccc(N2c3ccc(C)cc3B3c4cc(-c5nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cccc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)nc(-c6ccc7c(c6)B6c8cc(C)ccc8N(c8ccc(C)cc8)c8cccc(c86)N7c6ccc([Si](C(C)C)(C(C)C)C(C)C)cc6)n5)ccc4N(c4ccc([Si](C(C)C)(C(C)C)C(C)C)cc4)c4cccc2c43)cc1.

What is the InChIKey of [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane?

The InChIKey is LKONKBFQIKJVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C138H156B3N9Si3.C129H138B3N9Si3.C126H132B3N9Si3/c1-82(2)151(83(3)4,84(5)6)109-58-52-106(53-59-109)148-121-67-43-97(73-115(121)139-112-70-94(22)40-64-118(112)145(103-46-34-91(19)35-47-103)124-76-100(136(25,26)27)79-127(148)130(124)139)133-142-134(98-44-68-122-116(74-98)140-113-71-95(23)41-65-119(113)146(104-48-36-92(20)37-49-104)125-77-101(137(28,29)30)80-128(131(125)140)149(122)107-54-60-110(61-55-107)152(85(7)8,86(9)10)87(11)12)144-135(143-133)99-45-69-123-117(75-99)141-114-72-96(24)42-66-120(114)147(105-50-38-93(21)39-51-105)126-78-102(138(31,32)33)81-129(132(126)141)150(123)108-56-62-111(63-57-108)153(88(13)14,89(15)16)90(17)18;1-76(2)142(77(3)4,78(5)6)103-52-46-100(47-53-103)139-115-61-37-94(73-109(115)130-106-64-88(22)34-58-112(106)136(97-40-28-85(19)29-41-97)118-67-91(25)70-121(139)124(118)130)127-133-128(95-38-62-116-110(74-95)131-107-65-89(23)35-59-113(107)137(98-42-30-86(20)31-43-98)119-68-92(26)71-122(125(119)131)140(116)101-48-54-104(55-49-101)143(79(7)8,80(9)10)81(11)12)135-129(134-127)96-39-63-117-111(75-96)132-108-66-90(24)36-60-114(108)138(99-44-32-87(21)33-45-99)120-69-93(27)72-123(126(120)132)141(117)102-50-56-105(57-51-102)144(82(13)14,83(15)16)84(17)18;1-76(2)139(77(3)4,78(5)6)100-58-52-97(53-59-100)136-112-67-43-91(73-106(112)127-103-70-88(22)40-64-109(103)133(94-46-34-85(19)35-47-94)115-28-25-31-118(136)121(115)127)124-130-125(92-44-68-113-107(74-92)128-104-71-89(23)41-65-110(104)134(95-48-36-86(20)37-49-95)116-29-26-32-119(122(116)128)137(113)98-54-60-101(61-55-98)140(79(7)8,80(9)10)81(11)12)132-126(131-124)93-45-69-114-108(75-93)129-105-72-90(24)42-66-111(105)135(96-50-38-87(21)39-51-96)117-30-27-33-120(123(117)129)138(114)99-56-62-102(63-57-99)141(82(13)14,83(15)16)84(17)18/h34-90H,1-33H3;28-84H,1-27H3;25-84H,1-24H3.

What are the key properties of [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane?

[4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane has a molecular weight of 5878.00 g/mol, XLogP of 87.70, 63 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-[4,6-bis[11-tert-butyl-18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11-tert-butyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[11,18-dimethyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-11,18-dimethyl-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-8-yl]phenyl]-tri(propan-2-yl)silane;[4-[4-[4,6-bis[18-methyl-14-(4-methylphenyl)-8-[4-tri(propan-2-yl)silylphenyl]-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-4-yl]-1,3,5-triazin-2-yl]-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-8-yl]phenyl]-tri(propan-2-yl)silane is sourced from PubChem (CID 167613646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).