2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole

C174H152F9N17 — CID 134321100

About 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole

2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole (PubChem CID 134321100) has the molecular formula C174H152F9N17 and a molecular weight of 2652.23 g/mol. Its IUPAC name is 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole.

Molecular Properties

• Compound Name: 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
• PubChem CID: 134321100
• Molecular Formula: C174H152F9N17
• Molecular Weight: 2652.23 g/mol
• Exact Mass: 2650.23
• IUPAC Name: 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole
• SMILES: Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(CC(C)(C)c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)Cc8cc(C(C)(C)C)cc9c8c8ccc(C(C)(C)C)cc8n9-c8cc(-c9nc(C)nc(C)n9)cc(-n9c%10cc(C(C)(C)C)ccc%10c%10ccc(C(C)(C)C)cc%109)c8C(F)(F)F)ccc76)c5C(F)(F)F)c(-n5c6c(c7ccccc75)C=CCC6)cc43)c2)n1
• InChI: InChI=1S/C174H152F9N17/c1-97-184-98(2)187-161(186-97)103-79-151(197-136-59-43-37-53-121(136)125-72-68-116(93-146(125)197)193-132-55-39-33-49-117(132)118-50-34-40-56-133(118)193)157(173(178,179)180)152(80-103)198-137-60-44-38-54-122(137)127-78-106(142(94-147(127)198)194-134-57-41-35-51-119(134)120-52-36-42-58-135(120)194)95-170(23,24)113-66-75-140-130(87-113)128-85-108(164(5,6)7)64-73-138(128)195(140)149-83-105(163-191-159(101-45-29-27-30-46-101)190-160(192-163)102-47-31-28-32-48-102)84-150(156(149)172(175,176)177)196-139-74-65-109(165(8,9)10)86-129(139)131-88-114(67-76-141(131)196)171(25,26)96-107-77-115(169(20,21)22)92-148-155(107)126-71-63-112(168(17,18)19)91-145(126)200(148)154-82-104(162-188-99(3)185-100(4)189-162)81-153(158(154)174(181,182)183)199-143-89-110(166(11,12)13)61-69-123(143)124-70-62-111(90-144(124)199)167(14,15)16/h27-41,43-57,59-94H,42,58,95-96H2,1-26H3
• InChIKey: KWRRAIIYZMCTAP-UHFFFAOYSA-N
• XLogP: 46.28
• TPSA: 155.45 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 19
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2652.23
LogP ≤ 5	46.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?

The IUPAC name of 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole (CID 134321100) is 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole.

What is the SMILES notation for 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?

The canonical SMILES for 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole is Cc1nc(C)nc(-c2cc(-n3c4ccccc4c4ccc(-n5c6ccccc6c6ccccc65)cc43)c(C(F)(F)F)c(-n3c4ccccc4c4cc(CC(C)(C)c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5cc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)cc(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)Cc8cc(C(C)(C)C)cc9c8c8ccc(C(C)(C)C)cc8n9-c8cc(-c9nc(C)nc(C)n9)cc(-n9c%10cc(C(C)(C)C)ccc%10c%10ccc(C(C)(C)C)cc%109)c8C(F)(F)F)ccc76)c5C(F)(F)F)c(-n5c6c(c7ccccc75)C=CCC6)cc43)c2)n1.

What is the InChIKey of 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?

The InChIKey is KWRRAIIYZMCTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H152F9N17/c1-97-184-98(2)187-161(186-97)103-79-151(197-136-59-43-37-53-121(136)125-72-68-116(93-146(125)197)193-132-55-39-33-49-117(132)118-50-34-40-56-133(118)193)157(173(178,179)180)152(80-103)198-137-60-44-38-54-122(137)127-78-106(142(94-147(127)198)194-134-57-41-35-51-119(134)120-52-36-42-58-135(120)194)95-170(23,24)113-66-75-140-130(87-113)128-85-108(164(5,6)7)64-73-138(128)195(140)149-83-105(163-191-159(101-45-29-27-30-46-101)190-160(192-163)102-47-31-28-32-48-102)84-150(156(149)172(175,176)177)196-139-74-65-109(165(8,9)10)86-129(139)131-88-114(67-76-141(131)196)171(25,26)96-107-77-115(169(20,21)22)92-148-155(107)126-71-63-112(168(17,18)19)91-145(126)200(148)154-82-104(162-188-99(3)185-100(4)189-162)81-153(158(154)174(181,182)183)199-143-89-110(166(11,12)13)61-69-123(143)124-70-62-111(90-144(124)199)167(14,15)16/h27-41,43-57,59-94H,42,58,95-96H2,1-26H3.

What are the key properties of 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole?

2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole has a molecular weight of 2652.23 g/mol, XLogP of 46.28, 19 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2,7-ditert-butyl-4-[2-[6-tert-butyl-9-[3-[3-tert-butyl-6-[1-[9-[3-(2-carbazol-9-ylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]-2-(1,2-dihydrocarbazol-9-yl)carbazol-3-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazol-3-yl]-2-methylpropyl]-9-[3-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-(trifluoromethyl)phenyl]carbazole is sourced from PubChem (CID 134321100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).