11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]

C376H272B8N16O4 — CID 159058575

IUPAC11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.c1ccc(B2c3ccccc3N(c3ccccc3)c3c2ccc2c3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3C23c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2-c2c3ccc3c2N(c2ccccc2)c2ccccc2B3c2ccccc2)cc1
InChIInChI=1S/C101H86B2N4.C97H62B2N4.C89H62B2N4O4.C89H62B2N4/c1-97(2,3)63-41-53-87-73(57-63)74-58-64(98(4,5)6)42-54-88(74)104(87)71-45-47-79-77(61-71)93-81(49-51-85-95(93)106(69-33-21-15-22-34-69)91-39-27-25-37-83(91)102(85)67-29-17-13-18-30-67)101(79)80-48-46-72(105-89-55-43-65(99(7,8)9)59-75(89)76-60-66(100(10,11)12)44-56-90(76)105)62-78(80)94-82(101)50-52-86-96(94)107(70-35-23-16-24-36-70)92-40-28-26-38-84(92)103(86)68-31-19-14-20-32-68;1-7-27-67(28-8-1)98-83-41-21-25-45-91(83)102(71-35-15-5-16-36-71)95-85(98)55-53-81-93(95)77-61-63(65-49-57-89-75(59-65)73-39-19-23-43-87(73)100(89)69-31-11-3-12-32-69)47-51-79(77)97(81)80-52-48-64(66-50-58-90-76(60-66)74-40-20-24-44-88(74)101(90)70-33-13-4-14-34-70)62-78(80)94-82(97)54-56-86-96(94)103(72-37-17-6-18-38-72)92-46-26-22-42-84(92)99(86)68-29-9-2-10-30-68;1-96-61-35-45-79-65(51-61)66-52-62(97-2)36-46-80(66)92(79)59-33-39-71-69(49-59)85-73(41-43-77-87(85)94(57-25-13-7-14-26-57)83-31-19-17-29-75(83)90(77)55-21-9-5-10-22-55)89(71)72-40-34-60(93-81-47-37-63(98-3)53-67(81)68-54-64(99-4)38-48-82(68)93)50-70(72)86-74(89)42-44-78-88(86)95(58-27-15-8-16-28-58)84-32-20-18-30-76(84)91(78)56-23-11-6-12-24-56;1-55-33-45-79-65(49-55)66-50-56(2)34-46-80(66)92(79)63-37-39-71-69(53-63)85-73(41-43-77-87(85)94(61-25-13-7-14-26-61)83-31-19-17-29-75(83)90(77)59-21-9-5-10-22-59)89(71)72-40-38-64(93-81-47-35-57(3)51-67(81)68-52-58(4)36-48-82(68)93)54-70(72)86-74(89)42-44-78-88(86)95(62-27-15-8-16-28-62)84-32-20-18-30-76(84)91(78)60-23-11-6-12-24-60/h13-62H,1-12H3;1-62H;5-54H,1-4H3;5-54H,1-4H3
InChIKeyJYEDFBPJJSLHAO-UHFFFAOYSA-N
MW5164.92 g/mol
LogP77.08
Rot. Bonds30

About 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]

11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine] (PubChem CID 159058575) has the molecular formula C376H272B8N16O4 and a molecular weight of 5164.92 g/mol. Its IUPAC name is 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine].

Molecular Properties

Compound Name11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]
PubChem CID159058575
Molecular FormulaC376H272B8N16O4
Molecular Weight5164.92 g/mol
Exact Mass5162.23
IUPAC Name11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]
SMILESCC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.c1ccc(B2c3ccccc3N(c3ccccc3)c3c2ccc2c3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3C23c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2-c2c3ccc3c2N(c2ccccc2)c2ccccc2B3c2ccccc2)cc1
InChIInChI=1S/C101H86B2N4.C97H62B2N4.C89H62B2N4O4.C89H62B2N4/c1-97(2,3)63-41-53-87-73(57-63)74-58-64(98(4,5)6)42-54-88(74)104(87)71-45-47-79-77(61-71)93-81(49-51-85-95(93)106(69-33-21-15-22-34-69)91-39-27-25-37-83(91)102(85)67-29-17-13-18-30-67)101(79)80-48-46-72(105-89-55-43-65(99(7,8)9)59-75(89)76-60-66(100(10,11)12)44-56-90(76)105)62-78(80)94-82(101)50-52-86-96(94)107(70-35-23-16-24-36-70)92-40-28-26-38-84(92)103(86)68-31-19-14-20-32-68;1-7-27-67(28-8-1)98-83-41-21-25-45-91(83)102(71-35-15-5-16-36-71)95-85(98)55-53-81-93(95)77-61-63(65-49-57-89-75(59-65)73-39-19-23-43-87(73)100(89)69-31-11-3-12-32-69)47-51-79(77)97(81)80-52-48-64(66-50-58-90-76(60-66)74-40-20-24-44-88(74)101(90)70-33-13-4-14-34-70)62-78(80)94-82(97)54-56-86-96(94)103(72-37-17-6-18-38-72)92-46-26-22-42-84(92)99(86)68-29-9-2-10-30-68;1-96-61-35-45-79-65(51-61)66-52-62(97-2)36-46-80(66)92(79)59-33-39-71-69(49-59)85-73(41-43-77-87(85)94(57-25-13-7-14-26-57)83-31-19-17-29-75(83)90(77)55-21-9-5-10-22-55)89(71)72-40-34-60(93-81-47-37-63(98-3)53-67(81)68-54-64(99-4)38-48-82(68)93)50-70(72)86-74(89)42-44-78-88(86)95(58-27-15-8-16-28-58)84-32-20-18-30-76(84)91(78)56-23-11-6-12-24-56;1-55-33-45-79-65(49-55)66-50-56(2)34-46-80(66)92(79)63-37-39-71-69(53-63)85-73(41-43-77-87(85)94(61-25-13-7-14-26-61)83-31-19-17-29-75(83)90(77)59-21-9-5-10-22-59)89(71)72-40-38-64(93-81-47-35-57(3)51-67(81)68-52-58(4)36-48-82(68)93)54-70(72)86-74(89)42-44-78-88(86)95(62-27-15-8-16-28-62)84-32-20-18-30-76(84)91(78)60-23-11-6-12-24-60/h13-62H,1-12H3;1-62H;5-54H,1-4H3;5-54H,1-4H3
InChIKeyJYEDFBPJJSLHAO-UHFFFAOYSA-N
XLogP77.08
TPSA102.28 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms404
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005164.92
LogP ≤ 577.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-(11'-carbazol-9-yl-5,5'-diphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzothiaborinine]-11-yl)-3,6-dimethoxycarbazole
CID 161034358
9-(11'-carbazol-9-yl-5,5',13,13'-tetraphenyl-8,8'-spirobi[indeno[1,2-a]boranthrene]-11-yl)-3,6-dimethylcarbazole
CID 159203793
5,17-bis(3-tert-butylcarbazol-9-yl)-11-(3-phenylcarbazol-9-yl)-8,14-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-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 171425746
5,17-ditert-butyl-11-(9-phenylcarbazol-3-yl)-8,14-bis(4-phenylphenyl)-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 164936332
5-(3-tert-butylcarbazol-9-yl)-11-carbazol-9-yl-17-phenyl-8,14-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-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 171425600
9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
CID 159778762
5-carbazol-9-yl-11-(3,6-ditert-butylcarbazol-9-yl)-8,14-bis(3,5-ditert-butylphenyl)-17-(3-phenylcarbazol-9-yl)-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
CID 170669459
17-carbazol-9-yl-11-(3,6-ditert-butylcarbazol-9-yl)-4-phenyl-8,14-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-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
CID 171425888
9-(4-tert-butylphenyl)-3,6-di(carbazol-9-yl)carbazole;3,6-ditert-butyl-9-[6-(3,6-ditert-butylcarbazol-9-yl)-9-phenylcarbazol-3-yl]carbazole;3,6-di(carbazol-9-yl)-9-(4-methylphenyl)carbazole
CID 158450509
11-(3,6-ditert-butylcarbazol-9-yl)-5,17-bis(3,6-diphenylcarbazol-9-yl)-8,14-bis[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-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 171425408
9-(3,6-ditert-butylcarbazol-9-yl)-13-(4-methylphenyl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene;9-(2,6-diphenylcarbazol-9-yl)-13-(4-methylphenyl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene;9-(2,7-diphenylcarbazol-9-yl)-13-(4-methylphenyl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 161106323
9-carbazol-9-yl-13-(4-methylphenyl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene;9-(3,6-ditert-butylcarbazol-9-yl)-13-phenyl-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene;13-(4-methylphenyl)-9-(2-phenylcarbazol-9-yl)-1-aza-13-borapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8,10,12(20),14,16,18-nonaene
CID 158540709

Frequently Asked Questions

What is the IUPAC name of 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]?
The IUPAC name of 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine] (CID 159058575) is 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine].
What is the SMILES notation for 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]?
The canonical SMILES for 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine] is CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.COc1ccc2c(c1)c1cc(OC)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(OC)cc4c4cc(OC)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc2c(c1)-c1c(ccc3c1N(c1ccccc1)c1ccccc1B3c1ccccc1)C21c2ccc(-n3c4ccc(C)cc4c4cc(C)ccc43)cc2-c2c1ccc1c2N(c2ccccc2)c2ccccc2B1c1ccccc1.c1ccc(B2c3ccccc3N(c3ccccc3)c3c2ccc2c3-c3cc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc3C23c2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc2-c2c3ccc3c2N(c2ccccc2)c2ccccc2B3c2ccccc2)cc1.
What is the InChIKey of 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]?
The InChIKey is JYEDFBPJJSLHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H86B2N4.C97H62B2N4.C89H62B2N4O4.C89H62B2N4/c1-97(2,3)63-41-53-87-73(57-63)74-58-64(98(4,5)6)42-54-88(74)104(87)71-45-47-79-77(61-71)93-81(49-51-85-95(93)106(69-33-21-15-22-34-69)91-39-27-25-37-83(91)102(85)67-29-17-13-18-30-67)101(79)80-48-46-72(105-89-55-43-65(99(7,8)9)59-75(89)76-60-66(100(10,11)12)44-56-90(76)105)62-78(80)94-82(101)50-52-86-96(94)107(70-35-23-16-24-36-70)92-40-28-26-38-84(92)103(86)68-31-19-14-20-32-68;1-7-27-67(28-8-1)98-83-41-21-25-45-91(83)102(71-35-15-5-16-36-71)95-85(98)55-53-81-93(95)77-61-63(65-49-57-89-75(59-65)73-39-19-23-43-87(73)100(89)69-31-11-3-12-32-69)47-51-79(77)97(81)80-52-48-64(66-50-58-90-76(60-66)74-40-20-24-44-88(74)101(90)70-33-13-4-14-34-70)62-78(80)94-82(97)54-56-86-96(94)103(72-37-17-6-18-38-72)92-46-26-22-42-84(92)99(86)68-29-9-2-10-30-68;1-96-61-35-45-79-65(51-61)66-52-62(97-2)36-46-80(66)92(79)59-33-39-71-69(49-59)85-73(41-43-77-87(85)94(57-25-13-7-14-26-57)83-31-19-17-29-75(83)90(77)55-21-9-5-10-22-55)89(71)72-40-34-60(93-81-47-37-63(98-3)53-67(81)68-54-64(99-4)38-48-82(68)93)50-70(72)86-74(89)42-44-78-88(86)95(58-27-15-8-16-28-58)84-32-20-18-30-76(84)91(78)56-23-11-6-12-24-56;1-55-33-45-79-65(49-55)66-50-56(2)34-46-80(66)92(79)63-37-39-71-69(53-63)85-73(41-43-77-87(85)94(61-25-13-7-14-26-61)83-31-19-17-29-75(83)90(77)59-21-9-5-10-22-59)89(71)72-40-38-64(93-81-47-35-57(3)51-67(81)68-52-58(4)36-48-82(68)93)54-70(72)86-74(89)42-44-78-88(86)95(62-27-15-8-16-28-62)84-32-20-18-30-76(84)91(78)60-23-11-6-12-24-60/h13-62H,1-12H3;1-62H;5-54H,1-4H3;5-54H,1-4H3.
What are the key properties of 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine]?
11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine] has a molecular weight of 5164.92 g/mol, XLogP of 77.08, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11'-bis(3,6-ditert-butylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethoxycarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];11,11'-bis(3,6-dimethylcarbazol-9-yl)-5,5',13,13'-tetraphenyl-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine];5,5',13,13'-tetraphenyl-11,11'-bis(9-phenylcarbazol-3-yl)-8,8'-spirobi[fluoreno[4,3-b][1,4]benzazaborinine] is sourced from PubChem (CID 159058575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).