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

C174H150N20 — CID 155217185

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

2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (PubChem CID 155217185) has the molecular formula C174H150N20 and a molecular weight of 2521.25 g/mol. Its IUPAC name is 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
• PubChem CID: 155217185
• Molecular Formula: C174H150N20
• Molecular Weight: 2521.25 g/mol
• Exact Mass: 2519.24
• IUPAC Name: 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile
• SMILES: Cc1nc(C)nc(-c2cc(-n3c4cc(C(C)(C)C)ccc4c4c(CC(C)(C)c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5cc(C#N)c(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)Cc8cc(-n9c%10ccccc%10c%10ccccc%109)cc9c8c8ccccc8n9-c8cc(C#N)c(-n9c%10ccccc%10c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%109)cc8-c8nc(C)nc(C)n8)ccc76)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(C)(C)C)cc43)c(C#N)cc2-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)n1
• InChI: InChI=1S/C174H150N20/c1-100-178-101(2)181-164(180-100)135-92-149(191-142-59-43-37-53-125(142)128-72-68-119(90-157(128)191)187-138-55-39-33-49-121(138)122-50-34-40-56-139(122)187)109(98-176)80-152(135)192-143-60-44-38-54-129(143)161-107(78-120(91-159(161)192)188-140-57-41-35-51-123(140)124-52-36-42-58-141(124)188)96-174(25,26)117-66-75-145-133(84-117)131-82-111(167(5,6)7)64-73-144(131)189(145)148-94-137(166-185-162(104-45-29-27-30-46-104)184-163(186-166)105-47-31-28-32-48-105)151(79-108(148)97-175)190-146-74-65-112(168(8,9)10)83-132(146)134-85-116(67-76-147(134)190)173(23,24)95-106-77-118(172(20,21)22)89-158-160(106)130-71-63-115(171(17,18)19)88-156(130)193(158)150-93-136(165-182-102(3)179-103(4)183-165)153(81-110(150)99-177)194-154-86-113(169(11,12)13)61-69-126(154)127-70-62-114(87-155(127)194)170(14,15)16/h27-94H,95-96H2,1-26H3
• InChIKey: WXSQRPNTEYAQAF-UHFFFAOYSA-N
• XLogP: 43.03
• TPSA: 226.82 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2521.25
LogP ≤ 5	43.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

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

The IUPAC name of 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile (CID 155217185) is 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile.

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

The canonical SMILES for 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is Cc1nc(C)nc(-c2cc(-n3c4cc(C(C)(C)C)ccc4c4c(CC(C)(C)c5ccc6c(c5)c5cc(C(C)(C)C)ccc5n6-c5cc(C#N)c(-n6c7ccc(C(C)(C)C)cc7c7cc(C(C)(C)Cc8cc(-n9c%10ccccc%10c%10ccccc%109)cc9c8c8ccccc8n9-c8cc(C#N)c(-n9c%10ccccc%10c%10ccc(-n%11c%12ccccc%12c%12ccccc%12%11)cc%109)cc8-c8nc(C)nc(C)n8)ccc76)cc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cc(C(C)(C)C)cc43)c(C#N)cc2-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)n1.

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

The InChIKey is WXSQRPNTEYAQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C174H150N20/c1-100-178-101(2)181-164(180-100)135-92-149(191-142-59-43-37-53-125(142)128-72-68-119(90-157(128)191)187-138-55-39-33-49-121(138)122-50-34-40-56-139(122)187)109(98-176)80-152(135)192-143-60-44-38-54-129(143)161-107(78-120(91-159(161)192)188-140-57-41-35-51-123(140)124-52-36-42-58-141(124)188)96-174(25,26)117-66-75-145-133(84-117)131-82-111(167(5,6)7)64-73-144(131)189(145)148-94-137(166-185-162(104-45-29-27-30-46-104)184-163(186-166)105-47-31-28-32-48-105)151(79-108(148)97-175)190-146-74-65-112(168(8,9)10)83-132(146)134-85-116(67-76-147(134)190)173(23,24)95-106-77-118(172(20,21)22)89-158-160(106)130-71-63-115(171(17,18)19)88-156(130)193(158)150-93-136(165-182-102(3)179-103(4)183-165)153(81-110(150)99-177)194-154-86-113(169(11,12)13)61-69-126(154)127-70-62-114(87-155(127)194)170(14,15)16/h27-94H,95-96H2,1-26H3.

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

2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile has a molecular weight of 2521.25 g/mol, XLogP of 43.03, 19 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-6-[1-[2-carbazol-9-yl-9-[4-(2-carbazol-9-ylcarbazol-9-yl)-5-cyano-2-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-5-[3-tert-butyl-6-[1-[2,7-ditert-butyl-9-[2-cyano-4-(2,7-ditert-butylcarbazol-9-yl)-5-(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]carbazol-4-yl]-2-methylpropan-2-yl]carbazol-9-yl]-4-(4,6-diphenyl-1,3,5-triazin-2-yl)benzonitrile is sourced from PubChem (CID 155217185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).