4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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

C174H152B2N12 — CID 174064949

About 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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

4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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 (PubChem CID 174064949) has the molecular formula C174H152B2N12 and a molecular weight of 2432.84 g/mol. Its IUPAC name is 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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.

Molecular Properties

• Compound Name: 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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
• PubChem CID: 174064949
• Molecular Formula: C174H152B2N12
• Molecular Weight: 2432.84 g/mol
• Exact Mass: 2431.24
• IUPAC Name: 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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
• SMILES: CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)CCC(C)(C)c5ccc(N6c7ccc(C(C)(C)C)cc7B7c8cc(C(C)(C)C)ccc8N(c8ccc(C(C)(C)C)cc8)c8cc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12n(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11c%109)cc6c87)cc5)cc4)c4cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccc(N9c%10ccccc%10C%10(c%11ccccc%11-c%11ccccc%11%10)c%10ccccc%109)cc8)c7c65)cc2c43)cc1
• InChI: InChI=1S/C174H152B2N12/c1-166(2,3)109-65-77-117(78-66-109)181-149-93-73-113(168(7,8)9)99-139(149)175-141-101-115(170(13,14)15)75-95-151(141)183(155-104-123(103-153(181)157(155)175)186-144-60-40-32-52-128(144)132-90-89-131-127-51-31-39-59-143(127)185(159(131)160(132)186)122-87-85-121(86-88-122)180-147-63-43-37-57-137(147)174(138-58-38-44-64-148(138)180)135-55-35-29-49-125(135)126-50-30-36-56-136(126)174)119-81-69-111(70-82-119)172(19,20)97-98-173(21,22)112-71-83-120(84-72-112)184-152-96-76-116(171(16,17)18)102-142(152)176-140-100-114(169(10,11)12)74-94-150(140)182(118-79-67-110(68-80-118)167(4,5)6)154-105-124(106-156(184)158(154)176)187-145-61-41-33-53-129(145)133-91-92-134-130-54-34-42-62-146(130)188(162(134)161(133)187)165-178-163(107-45-25-23-26-46-107)177-164(179-165)108-47-27-24-28-48-108/h23-96,99-106H,97-98H2,1-22H3
• InChIKey: MOJVFSITUDYJCI-UHFFFAOYSA-N
• XLogP: 41.73
• TPSA: 74.59 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 16
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.84
LogP ≤ 5	41.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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?

The IUPAC name of 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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 174064949) is 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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.

What is the SMILES notation for 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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?

The canonical SMILES for 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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 is CC(C)(C)c1ccc(N2c3ccc(C(C)(C)C)cc3B3c4cc(C(C)(C)C)ccc4N(c4ccc(C(C)(C)CCC(C)(C)c5ccc(N6c7ccc(C(C)(C)C)cc7B7c8cc(C(C)(C)C)ccc8N(c8ccc(C(C)(C)C)cc8)c8cc(-n9c%10ccccc%10c%10ccc%11c%12ccccc%12n(-c%12nc(-c%13ccccc%13)nc(-c%13ccccc%13)n%12)c%11c%109)cc6c87)cc5)cc4)c4cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccc(N9c%10ccccc%10C%10(c%11ccccc%11-c%11ccccc%11%10)c%10ccccc%109)cc8)c7c65)cc2c43)cc1.

What is the InChIKey of 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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?

The InChIKey is MOJVFSITUDYJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H152B2N12/c1-166(2,3)109-65-77-117(78-66-109)181-149-93-73-113(168(7,8)9)99-139(149)175-141-101-115(170(13,14)15)75-95-151(141)183(155-104-123(103-153(181)157(155)175)186-144-60-40-32-52-128(144)132-90-89-131-127-51-31-39-59-143(127)185(159(131)160(132)186)122-87-85-121(86-88-122)180-147-63-43-37-57-137(147)174(138-58-38-44-64-148(138)180)135-55-35-29-49-125(135)126-50-30-36-56-136(126)174)119-81-69-111(70-82-119)172(19,20)97-98-173(21,22)112-71-83-120(84-72-112)184-152-96-76-116(171(16,17)18)102-142(152)176-140-100-114(169(10,11)12)74-94-150(140)182(118-79-67-110(68-80-118)167(4,5)6)154-105-124(106-156(184)158(154)176)187-145-61-41-33-53-129(145)133-91-92-134-130-54-34-42-62-146(130)188(162(134)161(133)187)165-178-163(107-45-25-23-26-46-107)177-164(179-165)108-47-27-24-28-48-108/h23-96,99-106H,97-98H2,1-22H3.

What are the key properties of 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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?

4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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 has a molecular weight of 2432.84 g/mol, XLogP of 41.73, 16 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 4,18-ditert-butyl-8-(4-tert-butylphenyl)-14-[4-[5-[4-[4,18-ditert-butyl-14-(4-tert-butylphenyl)-11-[12-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[2,3-a]carbazol-11-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(20),16,18-nonaen-8-yl]phenyl]-2,5-dimethylhexan-2-yl]phenyl]-11-[11-(4-spiro[acridine-9,9'-fluorene]-10-ylphenyl)indolo[2,3-a]carbazol-12-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 is sourced from PubChem (CID 174064949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).