C304H178N30O4S5 — CID 158084828
5-cinnolin-7-yl-12-[2,6-di(dibenzothiophen-2-yl)-4-pyridinyl]indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-pyridin-2-ylindolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-quinoxalin-2-ylindolo[3,2-c]carbazole;5-dibenzo-p-dioxin-2-yl-12-(6-quinolin-3-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-(6-dibenzothiophen-2-yl-2-pyridinyl)-12-quinolin-5-ylindolo[3,2-c]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9-diphenylindolo[3,2-c]carbazole (PubChem CID 158084828) has the molecular formula C304H178N30O4S5 and a molecular weight of 4475.31 g/mol. Its IUPAC name is 5-cinnolin-7-yl-12-[2,6-di(dibenzothiophen-2-yl)-4-pyridinyl]indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-pyridin-2-ylindolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-quinoxalin-2-ylindolo[3,2-c]carbazole;5-dibenzo-p-dioxin-2-yl-12-(6-quinolin-3-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-(6-dibenzothiophen-2-yl-2-pyridinyl)-12-quinolin-5-ylindolo[3,2-c]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9-diphenylindolo[3,2-c]carbazole.
| Compound Name | 5-cinnolin-7-yl-12-[2,6-di(dibenzothiophen-2-yl)-4-pyridinyl]indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-pyridin-2-ylindolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-quinoxalin-2-ylindolo[3,2-c]carbazole;5-dibenzo-p-dioxin-2-yl-12-(6-quinolin-3-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-(6-dibenzothiophen-2-yl-2-pyridinyl)-12-quinolin-5-ylindolo[3,2-c]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9-diphenylindolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 158084828 |
| Molecular Formula | C304H178N30O4S5 |
| Molecular Weight | 4475.31 g/mol |
| Exact Mass | 4471.33 |
| IUPAC Name | 5-cinnolin-7-yl-12-[2,6-di(dibenzothiophen-2-yl)-4-pyridinyl]indolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-pyridin-2-ylindolo[3,2-c]carbazole;12-(6-dibenzofuran-2-yl-2-pyridinyl)-5-quinoxalin-2-ylindolo[3,2-c]carbazole;5-dibenzo-p-dioxin-2-yl-12-(6-quinolin-3-yl-2-pyridinyl)indolo[3,2-c]carbazole;5-(6-dibenzothiophen-2-yl-2-pyridinyl)-12-quinolin-5-ylindolo[3,2-c]carbazole;5-[4,6-di(dibenzothiophen-2-yl)-1,3,5-triazin-2-yl]-12-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,9-diphenylindolo[3,2-c]carbazole |
| SMILES | c1cc(-c2ccc3oc4ccccc4c3c2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4cnc5ccccc5n4)c32)c1.c1cc(-c2ccc3sc4ccccc4c3c2)nc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc5ncccc45)c23)c1.c1cc(-c2cnc3ccccc3c2)nc(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccc5c(c4)Oc4ccccc4O5)c32)c1.c1ccc(-c2ccc3c(c2)c2c(ccc4c5cc(-c6ccccc6)ccc5n(-c5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5)c42)n3-c2nc(-c3ccc4sc5ccccc5c4c3)nc(-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-n2c3ccccc3c3c2ccc2c4ccccc4n(-c4cccc(-c5ccc6oc7ccccc7c6c5)n4)c23)nc1.c1ccc2c(c1)sc1ccc(-c3cc(-n4c5ccccc5c5ccc6c(c7ccccc7n6-c6ccc7ccnnc7c6)c54)cc(-c4ccc5sc6ccccc6c5c4)n3)cc12 |
| InChI | InChI=1S/C78H46N8S2.C55H31N5S2.C44H26N4O2.C44H26N4S.C43H25N5O.C40H24N4O/c1-5-18-47(19-6-1)51-32-37-64-60(43-51)59-36-39-66-71(72(59)85(64)56-27-17-26-53(42-56)75-80-73(49-22-9-3-10-23-49)79-74(81-75)50-24-11-4-12-25-50)63-44-52(48-20-7-2-8-21-48)33-38-65(63)86(66)78-83-76(54-34-40-69-61(45-54)57-28-13-15-30-67(57)87-69)82-77(84-78)55-35-41-70-62(46-55)58-29-14-16-31-68(58)88-70;1-5-13-47-37(9-1)40-21-22-49-54(41-12-2-6-14-48(41)59(49)35-20-17-32-25-26-56-58-46(32)29-35)55(40)60(47)36-30-44(33-18-23-52-42(27-33)38-10-3-7-15-50(38)61-52)57-45(31-36)34-19-24-53-43(28-34)39-11-4-8-16-51(39)62-53;1-4-13-33-27(10-1)24-28(26-45-33)34-14-9-19-42(46-34)48-35-15-5-2-11-30(35)31-21-22-37-43(44(31)48)32-12-3-6-16-36(32)47(37)29-20-23-40-41(25-29)50-39-18-8-7-17-38(39)49-40;1-4-16-36-28(10-1)30-22-23-39-43(44(30)48(36)37-18-7-15-35-31(37)13-9-25-45-35)32-12-2-5-17-38(32)47(39)42-20-8-14-34(46-42)27-21-24-41-33(26-27)29-11-3-6-19-40(29)49-41;1-6-16-35-27(10-1)29-21-22-37-42(30-12-2-7-17-36(30)47(37)41-25-44-33-13-4-5-14-34(33)46-41)43(29)48(35)40-19-9-15-32(45-40)26-20-23-39-31(24-26)28-11-3-8-18-38(28)49-39;1-4-14-32-26(10-1)28-20-21-34-39(29-12-2-5-15-33(29)43(34)37-17-7-8-23-41-37)40(28)44(32)38-18-9-13-31(42-38)25-19-22-36-30(24-25)27-11-3-6-16-35(27)45-36/h1-46H;1-31H;1-26H;1-26H;1-25H;1-24H |
| InChIKey | FNJQTBRYTODAHM-UHFFFAOYSA-N |
| XLogP | 80.21 |
| TPSA | 335.92 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 343 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4475.31 |
| LogP ≤ 5 | 80.21 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 39 |