About 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole
3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 157388544) has the molecular formula C397H265N47OS3
and a molecular weight of 5806.02 g/mol. Its IUPAC name is 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
Frequently Asked Questions
What is the IUPAC name of 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The IUPAC name of 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (CID 157388544) is 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
What is the SMILES notation for 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The canonical SMILES for 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is CC(C)(C)c1ccc2c(c1)c1ccc3c4cc(C(C)(C)C)ccc4n(-c4nccc(-c5cccc6c5sc5ccccc56)n4)c3c1n2-c1cccc(-c2cc3c4c(cccc4c2)CC=C3)n1.CC(C)CCc1ccc2c(c1)c1ccc3c4cc(CCC(C)C)ccc4n(-c4nc(-c5ccccc5)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)n4)c3c1n2-c1cccc(-c2cccc(-c3ccccc3)n2)n1.c1ccc(-c2c(-c3ccccc3)c3c4ccccc4n(-c4nccc(-c5cccc6c5sc5ccccc56)n4)c3c3c2c2ccccc2n3-c2ccnc(-c3cccc4c3sc3ccccc34)n2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8nc(-c9ccccc9)cc(-n9c%10ccccc%10c%10ccccc%109)n8)c7c65)n4)ccc2n3-c2ccccc2)cc1.c1ccc(-c2ccc3c(c2)c2ccc4c5cc(-c6ccccc6)ccc5n(-c5nccc(-c6ccc7oc8ccccc8c7c6)n5)c4c2n3-c2ccnc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7nc(-n8c9ccccc9c9ccccc98)nc(-n8c9ccccc9c9ccccc98)n7)c6c54)n3)n2)cc1.
What is the InChIKey of 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
The InChIKey is BLSLPRVOMFUYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C72H59N7.C69H41N13.C69H43N7.C65H39N9O.C62H36N6S2.C60H47N5S/c1-46(2)30-32-48-34-39-67-57(42-48)55-37-38-56-58-43-49(33-31-47(3)4)35-40-68(58)79(71(56)70(55)78(67)69-29-17-27-62(74-69)61-26-16-25-60(73-61)50-18-8-5-9-19-50)72-75-63(51-20-10-6-11-21-51)45-64(76-72)52-36-41-66-59(44-52)54-24-14-15-28-65(54)77(66)53-22-12-7-13-23-53;1-4-22-42(23-5-1)61-70-62(43-24-6-2-7-25-43)72-64(71-61)65-73-63(44-26-8-3-9-27-44)74-66(75-65)81-57-38-20-14-32-49(57)51-40-41-52-50-33-15-21-39-58(50)82(60(52)59(51)81)69-77-67(79-53-34-16-10-28-45(53)46-29-11-17-35-54(46)79)76-68(78-69)80-55-36-18-12-30-47(55)48-31-13-19-37-56(48)80;1-4-19-44(20-5-1)46-35-39-63-55(41-46)56-42-47(36-40-64(56)73(63)48-23-8-3-9-24-48)57-29-18-34-65(70-57)75-61-32-16-12-27-51(61)53-37-38-54-52-28-13-17-33-62(52)76(68(54)67(53)75)69-71-58(45-21-6-2-7-22-45)43-66(72-69)74-59-30-14-10-25-49(59)50-26-11-15-31-60(50)74;1-5-15-40(16-6-1)44-25-30-54-50(37-44)48-28-29-49-51-38-45(41-17-7-2-8-18-41)26-31-55(51)74(65-67-35-33-53(68-65)46-27-32-57-52(39-46)47-23-13-14-24-56(47)75-57)60(49)59(48)73(54)58-34-36-66-63(69-58)64-71-61(42-19-9-3-10-20-42)70-62(72-64)43-21-11-4-12-22-43;1-3-17-37(18-4-1)53-54(38-19-5-2-6-20-38)56-45-24-8-12-30-49(45)68(62-64-35-33-47(65-62)43-27-15-25-41-39-21-9-13-31-50(39)69-59(41)43)58(56)57-55(53)44-23-7-11-29-48(44)67(57)52-34-36-63-61(66-52)46-28-16-26-42-40-22-10-14-32-51(40)70-60(42)46;1-59(2,3)39-23-27-50-46(33-39)42-25-26-43-47-34-40(60(4,5)6)24-28-51(47)65(58-61-30-29-49(63-58)45-19-11-18-44-41-17-7-8-21-52(41)66-57(44)45)56(43)55(42)64(50)53-22-12-20-48(62-53)38-31-36-15-9-13-35-14-10-16-37(32-38)54(35)36/h5-29,34-47H,30-33H2,1-4H3;1-41H;1-43H;1-39H;1-36H;7-13,15-34H,14H2,1-6H3.
What are the key properties of 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole?
3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole has a molecular weight of 5806.02 g/mol, XLogP of 99.46, 46 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(3-methylbutyl)-12-[4-phenyl-6-(9-phenylcarbazol-3-yl)pyrimidin-2-yl]-11-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-11-[6-(6,9-diphenylcarbazol-3-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-(4-dibenzofuran-2-ylpyrimidin-2-yl)-11-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)pyrimidin-4-yl]-3,8-diphenylindolo[2,3-a]carbazole;11-(2-dibenzothiophen-4-ylpyrimidin-4-yl)-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-5,6-diphenylindolo[2,3-a]carbazole;3,8-ditert-butyl-12-(4-dibenzothiophen-4-ylpyrimidin-2-yl)-11-[6-(6H-phenalen-2-yl)-2-pyridinyl]indolo[2,3-a]carbazole;12-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-11-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-6-phenyl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole is sourced from PubChem (CID 157388544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).