2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole

C322H200N28OS — CID 158276693

About 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole

2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole (PubChem CID 158276693) has the molecular formula C322H200N28OS and a molecular weight of 4509.40 g/mol. Its IUPAC name is 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole.

Molecular Properties

• Compound Name: 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
• PubChem CID: 158276693
• Molecular Formula: C322H200N28OS
• Molecular Weight: 4509.40 g/mol
• Exact Mass: 4505.62
• IUPAC Name: 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole
• SMILES: CC1(C)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n5-c3ccccc3)cc2-c2cc(-c3ccc4c(c3)c3ccc5c6ccccc6n(-c6ccccc6)c5c3n4-c3ccccc3)ccc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccc9c%10ccccc%10n(-c%10ccccc%10)c9c7n8-c7ccccc7)ccc5n6-c5ncncn5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6sc7ccc(-c8ccc9c(c8)c8ccc%10c(c8n9-c8ccccc8)Cc8ccccc8-%10)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8ccc%10c(c8n9-c8ccccc8)Cc8ccccc8-%10)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1
• InChI: InChI=1S/C85H52N10.C84H55N7.C77H47N5S.C76H46N6O/c1-6-20-53(21-7-1)72-50-73(54-22-8-2-9-23-54)90-85(89-72)95-79-43-37-58(47-69(79)71-49-80-70(48-81(71)95)63-31-17-18-32-74(63)91(80)59-24-10-3-11-25-59)57-36-42-78-68(46-57)67-45-56(35-41-77(67)94(78)84-87-51-86-52-88-84)55-34-40-76-66(44-55)65-39-38-64-62-30-16-19-33-75(62)92(60-26-12-4-13-27-60)82(64)83(65)93(76)61-28-14-5-15-29-61;1-84(2)71-42-36-54(56-38-44-75-67(48-56)64-41-40-63-61-32-18-21-35-74(61)89(59-28-14-6-15-29-59)79(63)80(64)90(75)60-30-16-7-17-31-60)46-65(71)66-47-55(37-43-72(66)84)57-39-45-76-68(49-57)70-51-77-69(62-33-19-20-34-73(62)88(77)58-26-12-5-13-27-58)50-78(70)91(76)83-86-81(52-22-8-3-9-23-52)85-82(87-83)53-24-10-4-11-25-53;1-5-17-47(18-6-1)67-46-68(48-19-7-2-8-20-48)79-77(78-67)82-71-36-30-50(40-61(71)63-45-72-62(44-73(63)82)58-27-15-16-28-69(58)80(72)54-22-9-3-10-23-54)52-32-38-75-65(42-52)64-41-51(31-37-74(64)83-75)49-29-35-70-60(39-49)59-34-33-57-56-26-14-13-21-53(56)43-66(57)76(59)81(70)55-24-11-4-12-25-55;1-5-17-46(18-6-1)74-77-75(47-19-7-2-8-20-47)79-76(78-74)82-68-36-30-49(40-60(68)62-45-69-61(44-70(62)82)57-27-15-16-28-66(57)80(69)53-22-9-3-10-23-53)51-32-38-72-64(42-51)63-41-50(31-37-71(63)83-72)48-29-35-67-59(39-48)58-34-33-56-55-26-14-13-21-52(55)43-65(56)73(58)81(67)54-24-11-4-12-25-54/h1-52H;3-51H,1-2H3;1-42,44-46H,43H2;1-42,44-45H,43H2
• InChIKey: GJRQNVFKGXOYFM-UHFFFAOYSA-N
• XLogP: 81.73
• TPSA: 254.66 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 31
• Heavy Atoms: 352
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4509.40
LogP ≤ 5	81.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?

The IUPAC name of 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole (CID 158276693) is 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole.

What is the SMILES notation for 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?

The canonical SMILES for 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole is CC1(C)c2ccc(-c3ccc4c(c3)c3cc5c(cc3n4-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c3ccccc3n5-c3ccccc3)cc2-c2cc(-c3ccc4c(c3)c3ccc5c6ccccc6n(-c6ccccc6)c5c3n4-c3ccccc3)ccc21.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7ccc9c%10ccccc%10n(-c%10ccccc%10)c9c7n8-c7ccccc7)ccc5n6-c5ncncn5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6sc7ccc(-c8ccc9c(c8)c8ccc%10c(c8n9-c8ccccc8)Cc8ccccc8-%10)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6oc7ccc(-c8ccc9c(c8)c8ccc%10c(c8n9-c8ccccc8)Cc8ccccc8-%10)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.

What is the InChIKey of 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?

The InChIKey is GJRQNVFKGXOYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H52N10.C84H55N7.C77H47N5S.C76H46N6O/c1-6-20-53(21-7-1)72-50-73(54-22-8-2-9-23-54)90-85(89-72)95-79-43-37-58(47-69(79)71-49-80-70(48-81(71)95)63-31-17-18-32-74(63)91(80)59-24-10-3-11-25-59)57-36-42-78-68(46-57)67-45-56(35-41-77(67)94(78)84-87-51-86-52-88-84)55-34-40-76-66(44-55)65-39-38-64-62-30-16-19-33-75(62)92(60-26-12-4-13-27-60)82(64)83(65)93(76)61-28-14-5-15-29-61;1-84(2)71-42-36-54(56-38-44-75-67(48-56)64-41-40-63-61-32-18-21-35-74(61)89(59-28-14-6-15-29-59)79(63)80(64)90(75)60-30-16-7-17-31-60)46-65(71)66-47-55(37-43-72(66)84)57-39-45-76-68(49-57)70-51-77-69(62-33-19-20-34-73(62)88(77)58-26-12-5-13-27-58)50-78(70)91(76)83-86-81(52-22-8-3-9-23-52)85-82(87-83)53-24-10-4-11-25-53;1-5-17-47(18-6-1)67-46-68(48-19-7-2-8-20-48)79-77(78-67)82-71-36-30-50(40-61(71)63-45-72-62(44-73(63)82)58-27-15-16-28-69(58)80(72)54-22-9-3-10-23-54)52-32-38-75-65(42-52)64-41-51(31-37-74(64)83-75)49-29-35-70-60(39-49)59-34-33-57-56-26-14-13-21-53(56)43-66(57)76(59)81(70)55-24-11-4-12-25-55;1-5-17-46(18-6-1)74-77-75(47-19-7-2-8-20-47)79-76(78-74)82-68-36-30-49(40-60(68)62-45-69-61(44-70(62)82)57-27-15-16-28-66(57)80(69)53-22-9-3-10-23-53)51-32-38-72-64(42-51)63-41-50(31-37-71(63)83-72)48-29-35-67-59(39-48)58-34-33-56-55-26-14-13-21-52(55)43-65(56)73(58)81(67)54-24-11-4-12-25-54/h1-52H;3-51H,1-2H3;1-42,44-46H,43H2;1-42,44-45H,43H2.

What are the key properties of 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole?

2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole has a molecular weight of 4509.40 g/mol, XLogP of 81.73, 31 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9,9-dimethylfluoren-3-yl]-5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazole;2-[6-(11,12-diphenylindolo[2,3-a]carbazol-3-yl)-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-5-(4,6-diphenylpyrimidin-2-yl)-11-phenylindolo[3,2-b]carbazole;5-(4,6-diphenylpyrimidin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzothiophen-2-yl]indolo[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[8-(11-phenyl-12H-indeno[2,1-a]carbazol-8-yl)dibenzofuran-2-yl]indolo[3,2-b]carbazole is sourced from PubChem (CID 158276693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).