9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole

C418H243B10N37O10Si2 — CID 165040246

About 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole

9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole (PubChem CID 165040246) has the molecular formula C418H243B10N37O10Si2 and a molecular weight of 6108.08 g/mol. Its IUPAC name is 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole.

Molecular Properties

• Compound Name: 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole
• PubChem CID: 165040246
• Molecular Formula: C418H243B10N37O10Si2
• Molecular Weight: 6108.08 g/mol
• Exact Mass: 6105.01
• IUPAC Name: 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole
• SMILES: c1ccc2c(c1)B1c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4)cc3Oc3cccc(c31)C21c2ccccc2B2c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4)cc3Oc3cccc1c32.c1ccc2c(c1)B1c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc(c31)C21c2ccccc2B2c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc1c32.c1ccc2c(c1)B1c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc(c31)C21c2ccccc2B2c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc1c32.c1ccc2c(c1)B1c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc(c31)[Si]21c2ccccc2B2c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc1c32.c1ccc2c(c1)Oc1cccc3c1B2c1ccccc1[Si]31c2ccccc2B2c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3Oc3cccc1c32
• InChI: InChI=1S/C95H56B2N6O2.C93H54B2N8O2.C91H52B2N10O2.C90H52B2N10O2Si.C49H29B2N3O2Si/c1-13-37-77-61(23-1)62-24-2-14-38-78(62)100(77)89-53-59(54-90(98-89)101-79-39-15-3-25-63(79)64-26-4-16-40-80(64)101)57-47-49-75-87(51-57)104-85-45-21-33-71-93(85)96(75)73-35-11-9-31-69(73)95(71)70-32-10-12-36-74(70)97-76-50-48-58(52-88(76)105-86-46-22-34-72(95)94(86)97)60-55-91(102-81-41-17-5-27-65(81)66-28-6-18-42-82(66)102)99-92(56-60)103-83-43-19-7-29-67(83)68-30-8-20-44-84(68)103;1-13-37-75-57(23-1)58-24-2-14-38-76(58)100(75)87-53-73(96-91(98-87)102-79-41-17-5-27-61(79)62-28-6-18-42-80(62)102)55-47-49-71-85(51-55)104-83-45-21-33-67-89(83)94(71)69-35-11-9-31-65(69)93(67)66-32-10-12-36-70(66)95-72-50-48-56(52-86(72)105-84-46-22-34-68(93)90(84)95)74-54-88(101-77-39-15-3-25-59(77)60-26-4-16-40-78(60)101)99-92(97-74)103-81-43-19-7-29-63(81)64-30-8-20-44-82(64)103;1-13-37-71-55(23-1)56-24-2-14-38-72(56)100(71)87-94-85(95-88(98-87)101-73-39-15-3-25-57(73)58-26-4-16-40-74(58)101)53-47-49-69-81(51-53)104-79-45-21-33-65-83(79)92(69)67-35-11-9-31-63(67)91(65)64-32-10-12-36-68(64)93-70-50-48-54(52-82(70)105-80-46-22-34-66(91)84(80)93)86-96-89(102-75-41-17-5-27-59(75)60-28-6-18-42-76(60)102)99-90(97-86)103-77-43-19-7-29-61(77)62-30-8-20-44-78(62)103;1-11-33-67-55(23-1)56-24-2-12-34-68(56)99(67)87-93-85(94-88(97-87)100-69-35-13-3-25-57(69)58-26-4-14-36-70(58)100)53-47-49-63-77(51-53)103-75-41-21-45-81-83(75)91(63)65-31-9-19-43-79(65)105(81)80-44-20-10-32-66(80)92-64-50-48-54(52-78(64)104-76-42-22-46-82(105)84(76)92)86-95-89(101-71-37-15-5-27-59(71)60-28-6-16-38-72(60)101)98-90(96-86)102-73-39-17-7-29-61(73)62-30-8-18-40-74(62)102;1-8-20-39-31(13-1)50-33-14-2-9-23-43(33)57(45-25-11-21-40(55-39)47(45)50)44-24-10-3-15-34(44)51-32-28-27-30(29-42(32)56-41-22-12-26-46(57)48(41)51)53-37-18-6-7-19-38(37)54-36-17-5-4-16-35(36)52-49(53)54/h1-56H;1-54H;2*1-52H;1-29H
• InChIKey: NZTAVOWIUUTGJD-UHFFFAOYSA-N
• XLogP: 68.43
• TPSA: 425.43 Ų
• H-Bond Acceptors: 47
• Rotatable Bonds: 25
• Heavy Atoms: 477
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	6108.08
LogP ≤ 5	68.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole?

The IUPAC name of 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole (CID 165040246) is 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole.

What is the SMILES notation for 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole?

The canonical SMILES for 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole is c1ccc2c(c1)B1c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4)cc3Oc3cccc(c31)C21c2ccccc2B2c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)c4)cc3Oc3cccc1c32.c1ccc2c(c1)B1c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc(c31)C21c2ccccc2B2c3ccc(-c4cc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc1c32.c1ccc2c(c1)B1c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc(c31)C21c2ccccc2B2c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc1c32.c1ccc2c(c1)B1c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc(c31)[Si]21c2ccccc2B2c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)nc(-n5c6ccccc6c6ccccc65)n4)cc3Oc3cccc1c32.c1ccc2c(c1)Oc1cccc3c1B2c1ccccc1[Si]31c2ccccc2B2c3ccc(-n4c5ccccc5n5c6ccccc6nc45)cc3Oc3cccc1c32.

What is the InChIKey of 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole?

The InChIKey is NZTAVOWIUUTGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H56B2N6O2.C93H54B2N8O2.C91H52B2N10O2.C90H52B2N10O2Si.C49H29B2N3O2Si/c1-13-37-77-61(23-1)62-24-2-14-38-78(62)100(77)89-53-59(54-90(98-89)101-79-39-15-3-25-63(79)64-26-4-16-40-80(64)101)57-47-49-75-87(51-57)104-85-45-21-33-71-93(85)96(75)73-35-11-9-31-69(73)95(71)70-32-10-12-36-74(70)97-76-50-48-58(52-88(76)105-86-46-22-34-72(95)94(86)97)60-55-91(102-81-41-17-5-27-65(81)66-28-6-18-42-82(66)102)99-92(56-60)103-83-43-19-7-29-67(83)68-30-8-20-44-84(68)103;1-13-37-75-57(23-1)58-24-2-14-38-76(58)100(75)87-53-73(96-91(98-87)102-79-41-17-5-27-61(79)62-28-6-18-42-80(62)102)55-47-49-71-85(51-55)104-83-45-21-33-67-89(83)94(71)69-35-11-9-31-65(69)93(67)66-32-10-12-36-70(66)95-72-50-48-56(52-86(72)105-84-46-22-34-68(93)90(84)95)74-54-88(101-77-39-15-3-25-59(77)60-26-4-16-40-78(60)101)99-92(97-74)103-81-43-19-7-29-63(81)64-30-8-20-44-82(64)103;1-13-37-71-55(23-1)56-24-2-14-38-72(56)100(71)87-94-85(95-88(98-87)101-73-39-15-3-25-57(73)58-26-4-16-40-74(58)101)53-47-49-69-81(51-53)104-79-45-21-33-65-83(79)92(69)67-35-11-9-31-63(67)91(65)64-32-10-12-36-68(64)93-70-50-48-54(52-82(70)105-80-46-22-34-66(91)84(80)93)86-96-89(102-75-41-17-5-27-59(75)60-28-6-18-42-76(60)102)99-90(97-86)103-77-43-19-7-29-61(77)62-30-8-20-44-78(62)103;1-11-33-67-55(23-1)56-24-2-12-34-68(56)99(67)87-93-85(94-88(97-87)100-69-35-13-3-25-57(69)58-26-4-14-36-70(58)100)53-47-49-63-77(51-53)103-75-41-21-45-81-83(75)91(63)65-31-9-19-43-79(65)105(81)80-44-20-10-32-66(80)92-64-50-48-54(52-78(64)104-76-42-22-46-82(105)84(76)92)86-95-89(101-71-37-15-5-27-59(71)60-28-6-16-38-72(60)101)98-90(96-86)102-73-39-17-7-29-61(73)62-30-8-18-40-74(62)102;1-8-20-39-31(13-1)50-33-14-2-9-23-43(33)57(45-25-11-21-40(55-39)47(45)50)44-24-10-3-15-34(44)51-32-28-27-30(29-42(32)56-41-22-12-26-46(57)48(41)51)53-37-18-6-7-19-38(37)54-36-17-5-4-16-35(36)52-49(53)54/h1-56H;1-54H;2*1-52H;1-29H.

What are the key properties of 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole?

9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole has a molecular weight of 6108.08 g/mol, XLogP of 68.43, 25 rotatable bonds, 0 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[6-carbazol-9-yl-4-[5'-[2,6-di(carbazol-9-yl)-4-pyridinyl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-2-pyridinyl]carbazole;9-[2-carbazol-9-yl-6-[5'-[2,6-di(carbazol-9-yl)pyrimidin-4-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]pyrimidin-4-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15,17,19-nonaene]-5-yl]-1,3,5-triazin-2-yl]carbazole;9-[4-carbazol-9-yl-6-[5'-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-14,14'-spirobi[8-oxa-14-sila-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-yl]-1,3,5-triazin-2-yl]carbazole;5-spiro[8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15,17,19-nonaene-14,14'-8-oxa-14-sila-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene]-5-ylbenzimidazolo[1,2-a]benzimidazole is sourced from PubChem (CID 165040246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).