[8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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

C446H348B6N12Si13 — CID 163449889

IUPAC[8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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
SMILESCC(C)(C)c1ccc2c(c1)N(c1ccc3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-3)c1cc(C(C)(C)C)cc3c1B2c1ccccc1N3c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cc2c3c(c1)N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccc(C(C)(C)C)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1cc(C(C)(C)C)ccc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccccc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccccc1B3c1ccccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3c4c(c2)N(c2ccc5c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-5)c2ccccc2B4c2ccccc2N3c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C84H59BN2Si3.2C75H63BN2Si2.C74H61BN2Si2.C71H55BN2Si2.C67H47BN2Si2/c1-8-30-62(31-9-1)88(63-32-10-2-11-33-63,64-34-12-3-13-35-64)69-58-78-84-79(59-69)87(61-53-55-73-71-45-23-29-51-81(71)90(83(73)57-61,67-40-18-6-19-41-67)68-42-20-7-21-43-68)77-49-27-25-47-75(77)85(84)74-46-24-26-48-76(74)86(78)60-52-54-72-70-44-22-28-50-80(70)89(82(72)56-60,65-36-14-4-15-37-65)66-38-16-5-17-39-66;1-50-36-44-66-72-73(50)78(54-40-42-62-60-33-21-23-35-69(60)80(71(62)49-54,57-28-16-10-17-29-57)58-30-18-11-19-31-58)67-47-52(75(5,6)7)37-43-63(67)76(72)64-46-51(74(2,3)4)38-45-65(64)77(66)53-39-41-61-59-32-20-22-34-68(59)79(70(61)48-53,55-24-12-8-13-25-55)56-26-14-9-15-27-56;1-50-44-67-73-68(45-50)78(54-39-41-62-60-33-21-23-35-70(60)80(72(62)49-54,57-28-16-10-17-29-57)58-30-18-11-19-31-58)66-43-37-52(75(5,6)7)47-64(66)76(73)63-46-51(74(2,3)4)36-42-65(63)77(67)53-38-40-61-59-32-20-22-34-69(59)79(71(61)48-53,55-24-12-8-13-25-55)56-26-14-9-15-27-56;1-73(2,3)50-39-44-63-65(45-50)77(53-41-43-61-59-34-20-24-38-69(59)79(71(61)49-53,56-29-15-9-16-30-56)57-31-17-10-18-32-57)67-47-51(74(4,5)6)46-66-72(67)75(63)62-35-21-22-36-64(62)76(66)52-40-42-60-58-33-19-23-37-68(58)78(70(60)48-52,54-25-11-7-12-26-54)55-27-13-8-14-28-55;1-48-37-43-64-69-70(48)74(51-40-42-59-57-32-18-22-36-66(57)76(68(59)47-51,54-27-13-7-14-28-54)55-29-15-8-16-30-55)62-34-20-19-33-60(62)72(69)61-45-49(71(2,3)4)38-44-63(61)73(64)50-39-41-58-56-31-17-21-35-65(56)75(67(58)46-50,52-23-9-5-10-24-52)53-25-11-6-12-26-53;1-46-38-43-61-66-67(46)70(48-40-42-56-54-31-15-21-37-63(54)72(65(56)45-48,51-26-10-4-11-27-51)52-28-12-5-13-29-52)60-35-19-17-33-58(60)68(66)57-32-16-18-34-59(57)69(61)47-39-41-55-53-30-14-20-36-62(53)71(64(55)44-47,49-22-6-2-7-23-49)50-24-8-3-9-25-50/h1-59H;2*8-49H,1-7H3;7-49H,1-6H3;5-47H,1-4H3;2-45H,1H3
InChIKeyBFSINBPERSLGNA-UHFFFAOYSA-N
MW6305.76 g/mol
LogP62.60
Rot. Bonds40

About [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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

[8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 163449889) has the molecular formula C446H348B6N12Si13 and a molecular weight of 6305.76 g/mol. Its IUPAC name is [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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[8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 CID163449889
Molecular FormulaC446H348B6N12Si13
Molecular Weight6305.76 g/mol
Exact Mass6300.52
IUPAC Name[8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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
SMILESCC(C)(C)c1ccc2c(c1)N(c1ccc3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-3)c1cc(C(C)(C)C)cc3c1B2c1ccccc1N3c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cc2c3c(c1)N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccc(C(C)(C)C)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1cc(C(C)(C)C)ccc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccccc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccccc1B3c1ccccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3c4c(c2)N(c2ccc5c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-5)c2ccccc2B4c2ccccc2N3c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1
InChIInChI=1S/C84H59BN2Si3.2C75H63BN2Si2.C74H61BN2Si2.C71H55BN2Si2.C67H47BN2Si2/c1-8-30-62(31-9-1)88(63-32-10-2-11-33-63,64-34-12-3-13-35-64)69-58-78-84-79(59-69)87(61-53-55-73-71-45-23-29-51-81(71)90(83(73)57-61,67-40-18-6-19-41-67)68-42-20-7-21-43-68)77-49-27-25-47-75(77)85(84)74-46-24-26-48-76(74)86(78)60-52-54-72-70-44-22-28-50-80(70)89(82(72)56-60,65-36-14-4-15-37-65)66-38-16-5-17-39-66;1-50-36-44-66-72-73(50)78(54-40-42-62-60-33-21-23-35-69(60)80(71(62)49-54,57-28-16-10-17-29-57)58-30-18-11-19-31-58)67-47-52(75(5,6)7)37-43-63(67)76(72)64-46-51(74(2,3)4)38-45-65(64)77(66)53-39-41-61-59-32-20-22-34-68(59)79(70(61)48-53,55-24-12-8-13-25-55)56-26-14-9-15-27-56;1-50-44-67-73-68(45-50)78(54-39-41-62-60-33-21-23-35-70(60)80(72(62)49-54,57-28-16-10-17-29-57)58-30-18-11-19-31-58)66-43-37-52(75(5,6)7)47-64(66)76(73)63-46-51(74(2,3)4)36-42-65(63)77(67)53-38-40-61-59-32-20-22-34-69(59)79(71(61)48-53,55-24-12-8-13-25-55)56-26-14-9-15-27-56;1-73(2,3)50-39-44-63-65(45-50)77(53-41-43-61-59-34-20-24-38-69(59)79(71(61)49-53,56-29-15-9-16-30-56)57-31-17-10-18-32-57)67-47-51(74(4,5)6)46-66-72(67)75(63)62-35-21-22-36-64(62)76(66)52-40-42-60-58-33-19-23-37-68(58)78(70(60)48-52,54-25-11-7-12-26-54)55-27-13-8-14-28-55;1-48-37-43-64-69-70(48)74(51-40-42-59-57-32-18-22-36-66(57)76(68(59)47-51,54-27-13-7-14-28-54)55-29-15-8-16-30-55)62-34-20-19-33-60(62)72(69)61-45-49(71(2,3)4)38-44-63(61)73(64)50-39-41-58-56-31-17-21-35-65(56)75(67(58)46-50,52-23-9-5-10-24-52)53-25-11-6-12-26-53;1-46-38-43-61-66-67(46)70(48-40-42-56-54-31-15-21-37-63(54)72(65(56)45-48,51-26-10-4-11-27-51)52-28-12-5-13-29-52)60-35-19-17-33-58(60)68(66)57-32-16-18-34-59(57)69(61)47-39-41-55-53-30-14-20-36-62(53)71(64(55)44-47,49-22-6-2-7-23-49)50-24-8-3-9-25-50/h1-59H;2*8-49H,1-7H3;7-49H,1-6H3;5-47H,1-4H3;2-45H,1H3
InChIKeyBFSINBPERSLGNA-UHFFFAOYSA-N
XLogP62.60
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds40
Heavy Atoms477
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006305.76
LogP ≤ 562.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 163449889) is [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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)c1ccc2c(c1)N(c1ccc3c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-3)c1cc(C(C)(C)C)cc3c1B2c1ccccc1N3c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1cc2c3c(c1)N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccc(C(C)(C)C)cc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1cc(C(C)(C)C)ccc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccccc1B3c1cc(C(C)(C)C)ccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.Cc1ccc2c3c1N(c1ccc4c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-4)c1ccccc1B3c1ccccc1N2c1ccc2c(c1)[Si](c1ccccc1)(c1ccccc1)c1ccccc1-2.c1ccc([Si](c2ccccc2)(c2ccccc2)c2cc3c4c(c2)N(c2ccc5c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-5)c2ccccc2B4c2ccccc2N3c2ccc3c(c2)[Si](c2ccccc2)(c2ccccc2)c2ccccc2-3)cc1.
What is the InChIKey of [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 BFSINBPERSLGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C84H59BN2Si3.2C75H63BN2Si2.C74H61BN2Si2.C71H55BN2Si2.C67H47BN2Si2/c1-8-30-62(31-9-1)88(63-32-10-2-11-33-63,64-34-12-3-13-35-64)69-58-78-84-79(59-69)87(61-53-55-73-71-45-23-29-51-81(71)90(83(73)57-61,67-40-18-6-19-41-67)68-42-20-7-21-43-68)77-49-27-25-47-75(77)85(84)74-46-24-26-48-76(74)86(78)60-52-54-72-70-44-22-28-50-80(70)89(82(72)56-60,65-36-14-4-15-37-65)66-38-16-5-17-39-66;1-50-36-44-66-72-73(50)78(54-40-42-62-60-33-21-23-35-69(60)80(71(62)49-54,57-28-16-10-17-29-57)58-30-18-11-19-31-58)67-47-52(75(5,6)7)37-43-63(67)76(72)64-46-51(74(2,3)4)38-45-65(64)77(66)53-39-41-61-59-32-20-22-34-68(59)79(70(61)48-53,55-24-12-8-13-25-55)56-26-14-9-15-27-56;1-50-44-67-73-68(45-50)78(54-39-41-62-60-33-21-23-35-70(60)80(72(62)49-54,57-28-16-10-17-29-57)58-30-18-11-19-31-58)66-43-37-52(75(5,6)7)47-64(66)76(73)63-46-51(74(2,3)4)36-42-65(63)77(67)53-38-40-61-59-32-20-22-34-69(59)79(71(61)48-53,55-24-12-8-13-25-55)56-26-14-9-15-27-56;1-73(2,3)50-39-44-63-65(45-50)77(53-41-43-61-59-34-20-24-38-69(59)79(71(61)49-53,56-29-15-9-16-30-56)57-31-17-10-18-32-57)67-47-51(74(4,5)6)46-66-72(67)75(63)62-35-21-22-36-64(62)76(66)52-40-42-60-58-33-19-23-37-68(58)78(70(60)48-52,54-25-11-7-12-26-54)55-27-13-8-14-28-55;1-48-37-43-64-69-70(48)74(51-40-42-59-57-32-18-22-36-66(57)76(68(59)47-51,54-27-13-7-14-28-54)55-29-15-8-16-30-55)62-34-20-19-33-60(62)72(69)61-45-49(71(2,3)4)38-44-63(61)73(64)50-39-41-58-56-31-17-21-35-65(56)75(67(58)46-50,52-23-9-5-10-24-52)53-25-11-6-12-26-53;1-46-38-43-61-66-67(46)70(48-40-42-56-54-31-15-21-37-63(54)72(65(56)45-48,51-26-10-4-11-27-51)52-28-12-5-13-29-52)60-35-19-17-33-58(60)68(66)57-32-16-18-34-59(57)69(61)47-39-41-55-53-30-14-20-36-62(53)71(64(55)44-47,49-22-6-2-7-23-49)50-24-8-3-9-25-50/h1-59H;2*8-49H,1-7H3;7-49H,1-6H3;5-47H,1-4H3;2-45H,1H3.
What are the key properties of [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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?
[8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 6305.76 g/mol, XLogP of 62.60, 40 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl]-triphenylsilane;8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-10-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;4-tert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-methyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene;5,11-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene;4,17-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-12-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-nonaene;4,18-ditert-butyl-8,14-bis(5,5-diphenylbenzo[b][1]benzosilol-3-yl)-11-methyl-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 163449889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).