3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

C207H133N21S — CID 160680199

About 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole

3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (PubChem CID 160680199) has the molecular formula C207H133N21S and a molecular weight of 2946.55 g/mol. Its IUPAC name is 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

Molecular Properties

• Compound Name: 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
• PubChem CID: 160680199
• Molecular Formula: C207H133N21S
• Molecular Weight: 2946.55 g/mol
• Exact Mass: 2944.08
• IUPAC Name: 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
• SMILES: CC1(C)c2ccccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cccc1c32.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4c4cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)ccc43)n2)cc1
• InChI: InChI=1S/C75H46N8.C51H33N5.C45H28N4S.C36H26N4/c1-5-21-47(22-6-1)73-76-74(48-23-7-2-8-24-48)78-75(77-73)83-67-43-37-51(81-65-35-19-15-31-55(65)59-41-39-57-53-29-13-17-33-63(53)79(69(57)71(59)81)49-25-9-3-10-26-49)45-61(67)62-46-52(38-44-68(62)83)82-66-36-20-16-32-56(66)60-42-40-58-54-30-14-18-34-64(54)80(70(58)72(60)82)50-27-11-4-12-28-50;1-5-15-34(16-6-1)49-52-50(35-17-7-2-8-18-35)54-51(53-49)38-27-30-48-44(33-38)43-32-37(26-29-47(43)56(48)40-21-11-4-12-22-40)36-25-28-46-42(31-36)41-23-13-14-24-45(41)55(46)39-19-9-3-10-20-39;1-4-12-29(13-5-1)43-46-44(30-14-6-2-7-15-30)48-45(47-43)33-22-25-42-38(28-33)37-27-32(21-24-41(37)50-42)31-20-23-40-36(26-31)35-18-10-11-19-39(35)49(40)34-16-8-3-9-17-34;1-36(2)28-17-9-10-19-31(28)40-30-21-20-25(22-27(30)26-16-11-18-29(36)32(26)40)35-38-33(23-12-5-3-6-13-23)37-34(39-35)24-14-7-4-8-15-24/h1-46H;1-33H;1-28H;3-22H,1-2H3
• InChIKey: ROARTBWCBQGXSR-UHFFFAOYSA-N
• XLogP: 52.04
• TPSA: 199.05 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2946.55
LogP ≤ 5	52.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?

The IUPAC name of 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole (CID 160680199) is 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole.

What is the SMILES notation for 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?

The canonical SMILES for 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is CC1(C)c2ccccc2-n2c3ccc(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3c3cccc1c32.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)c3cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc3n4-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4c4cc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)ccc43)n2)cc1.

What is the InChIKey of 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?

The InChIKey is ROARTBWCBQGXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H46N8.C51H33N5.C45H28N4S.C36H26N4/c1-5-21-47(22-6-1)73-76-74(48-23-7-2-8-24-48)78-75(77-73)83-67-43-37-51(81-65-35-19-15-31-55(65)59-41-39-57-53-29-13-17-33-63(53)79(69(57)71(59)81)49-25-9-3-10-26-49)45-61(67)62-46-52(38-44-68(62)83)82-66-36-20-16-32-56(66)60-42-40-58-54-30-14-18-34-64(54)80(70(58)72(60)82)50-27-11-4-12-28-50;1-5-15-34(16-6-1)49-52-50(35-17-7-2-8-18-35)54-51(53-49)38-27-30-48-44(33-38)43-32-37(26-29-47(43)56(48)40-21-11-4-12-22-40)36-25-28-46-42(31-36)41-23-13-14-24-45(41)55(46)39-19-9-3-10-20-39;1-4-12-29(13-5-1)43-46-44(30-14-6-2-7-15-30)48-45(47-43)33-22-25-42-38(28-33)37-27-32(21-24-41(37)50-42)31-20-23-40-36(26-31)35-18-10-11-19-39(35)49(40)34-16-8-3-9-17-34;1-36(2)28-17-9-10-19-31(28)40-30-21-20-25(22-27(30)26-16-11-18-29(36)32(26)40)35-38-33(23-12-5-3-6-13-23)37-34(39-35)24-14-7-4-8-15-24/h1-46H;1-33H;1-28H;3-22H,1-2H3.

What are the key properties of 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole?

3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole has a molecular weight of 2946.55 g/mol, XLogP of 52.04, 21 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-9-phenylcarbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene;12-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-(11-phenylindolo[2,3-a]carbazol-12-yl)carbazol-3-yl]-11-phenylindolo[2,3-a]carbazole;3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-6-(9-phenylcarbazol-3-yl)carbazole is sourced from PubChem (CID 160680199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).