24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene

C143H126B2N4 — CID 171745376

About 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene

24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene (PubChem CID 171745376) has the molecular formula C143H126B2N4 and a molecular weight of 1922.23 g/mol. Its IUPAC name is 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene.

Molecular Properties

• Compound Name: 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene
• PubChem CID: 171745376
• Molecular Formula: C143H126B2N4
• Molecular Weight: 1922.23 g/mol
• Exact Mass: 1921.02
• IUPAC Name: 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene
• SMILES: CC(C)(C)c1cc(N2c3ccccc3B3c4cc5c6cc4N(c4cc(C(C)(C)C)cc(c4)C(C)(C)c4c(C(C)(C)C)cc(-c7ccccc7)c(c4-c4ccccc4)N6c4cc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc6c4B5c4ccccc4N6c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc2c43)cc(C(C)(C)C)c1
• InChI: InChI=1S/C143H126B2N4/c1-135(2,3)93-75-94(136(4,5)6)79-99(78-93)146-120-69-43-41-67-116(120)144-118-85-119-123-86-122(118)148(126-73-89(71-124(146)132(126)144)103-60-46-62-109-107-58-36-40-66-114(107)143(130(103)109)112-64-38-33-55-104(112)105-56-34-39-65-113(105)143)101-82-97(139(13,14)15)77-98(83-101)141(19,20)131-115(140(16,17)18)84-110(87-47-25-21-26-48-87)134(128(131)88-49-27-22-28-50-88)149(123)127-74-90(72-125-133(127)145(119)117-68-42-44-70-121(117)147(125)100-80-95(137(7,8)9)76-96(81-100)138(10,11)12)102-59-45-61-108-106-57-35-37-63-111(106)142(129(102)108,91-51-29-23-30-52-91)92-53-31-24-32-54-92/h21-86H,1-20H3
• InChIKey: XBQFJZQGMFJFNV-UHFFFAOYSA-N
• XLogP: 33.65
• TPSA: 12.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1922.23
LogP ≤ 5	33.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene?

The IUPAC name of 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene (CID 171745376) is 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene.

What is the SMILES notation for 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene?

The canonical SMILES for 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene is CC(C)(C)c1cc(N2c3ccccc3B3c4cc5c6cc4N(c4cc(C(C)(C)C)cc(c4)C(C)(C)c4c(C(C)(C)C)cc(-c7ccccc7)c(c4-c4ccccc4)N6c4cc(-c6cccc7c6C(c6ccccc6)(c6ccccc6)c6ccccc6-7)cc6c4B5c4ccccc4N6c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4cc(-c5cccc6c5C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc2c43)cc(C(C)(C)C)c1.

What is the InChIKey of 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene?

The InChIKey is XBQFJZQGMFJFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C143H126B2N4/c1-135(2,3)93-75-94(136(4,5)6)79-99(78-93)146-120-69-43-41-67-116(120)144-118-85-119-123-86-122(118)148(126-73-89(71-124(146)132(126)144)103-60-46-62-109-107-58-36-40-66-114(107)143(130(103)109)112-64-38-33-55-104(112)105-56-34-39-65-113(105)143)101-82-97(139(13,14)15)77-98(83-101)141(19,20)131-115(140(16,17)18)84-110(87-47-25-21-26-48-87)134(128(131)88-49-27-22-28-50-88)149(123)127-74-90(72-125-133(127)145(119)117-68-42-44-70-121(117)147(125)100-80-95(137(7,8)9)76-96(81-100)138(10,11)12)102-59-45-61-108-106-57-35-37-63-111(106)142(129(102)108,91-51-29-23-30-52-91)92-53-31-24-32-54-92/h21-86H,1-20H3.

What are the key properties of 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene?

24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene has a molecular weight of 1922.23 g/mol, XLogP of 33.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24,29-ditert-butyl-14,38-bis(3,5-ditert-butylphenyl)-17-(9,9-diphenylfluoren-1-yl)-26,26-dimethyl-22,47-diphenyl-35-(9,9'-spirobi[fluorene]-1-yl)-14,20,32,38-tetraza-1,7-diboradodecacyclo[31.11.1.12,6.17,15.121,25.127,31.03,32.05,20.08,13.037,45.039,44.019,48]nonatetraconta-2(49),3,5,8,10,12,15(48),16,18,21(47),22,24,27,29,31(46),33,35,37(45),39,41,43-henicosaene is sourced from PubChem (CID 171745376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).