C357H231N21OS — CID 158079729
12-(3-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-a]carbazole (PubChem CID 158079729) has the molecular formula C357H231N21OS and a molecular weight of 4862.99 g/mol. Its IUPAC name is 12-(3-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-a]carbazole.
| Compound Name | 12-(3-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 158079729 |
| Molecular Formula | C357H231N21OS |
| Molecular Weight | 4862.99 g/mol |
| Exact Mass | 4858.84 |
| IUPAC Name | 12-(3-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-carbazol-9-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzofuran-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-(4-dibenzothiophen-1-ylphenyl)-11-phenylindolo[2,3-a]carbazole;12-[4-(9,9-dimethylfluoren-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole;11-phenyl-12-[3-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[3-(9-phenylcarbazol-4-yl)phenyl]indolo[2,3-a]carbazole;11-phenyl-12-[4-(9-phenylcarbazol-1-yl)phenyl]indolo[2,3-a]carbazole |
| SMILES | CC1(C)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)cc3)cccc21.c1ccc(-n2c3ccccc3c3c(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)cccc32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7oc8ccccc8c67)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-c6cccc7sc8ccccc8c67)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5cccc(-n6c7ccccc7c7ccccc76)c5)c4c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4ccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)cc4)c32)cc1.c1ccc(-n2c3ccccc3c3cccc(-c4cccc(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c4)c32)cc1 |
| InChI | InChI=1S/3C48H31N3.C45H32N2.2C42H27N3.C42H26N2O.C42H26N2S/c1-3-16-33(17-4-1)49-43-26-10-7-21-37(43)40-25-14-24-36(46(40)49)32-15-13-20-35(31-32)51-45-28-12-9-23-39(45)42-30-29-41-38-22-8-11-27-44(38)50(47(41)48(42)51)34-18-5-2-6-19-34;1-3-16-33(17-4-1)49-44-27-12-9-23-41(44)46-36(24-14-28-45(46)49)32-15-13-20-35(31-32)51-43-26-11-8-22-38(43)40-30-29-39-37-21-7-10-25-42(37)50(47(39)48(40)51)34-18-5-2-6-19-34;1-3-14-33(15-4-1)49-43-23-10-7-18-37(43)40-22-13-21-36(46(40)49)32-26-28-35(29-27-32)51-45-25-12-9-20-39(45)42-31-30-41-38-19-8-11-24-44(38)50(47(41)48(42)51)34-16-5-2-6-17-34;1-45(2)38-19-9-6-17-37(38)42-32(18-12-20-39(42)45)29-23-25-31(26-24-29)47-41-22-11-8-16-34(41)36-28-27-35-33-15-7-10-21-40(33)46(43(35)44(36)47)30-13-4-3-5-14-30;1-2-13-28(14-3-1)44-39-23-10-6-19-33(39)35-25-26-36-34-20-7-11-24-40(34)45(42(36)41(35)44)30-16-12-15-29(27-30)43-37-21-8-4-17-31(37)32-18-5-9-22-38(32)43;1-2-12-28(13-3-1)44-39-20-10-6-16-33(39)35-26-27-36-34-17-7-11-21-40(34)45(42(36)41(35)44)30-24-22-29(23-25-30)43-37-18-8-4-14-31(37)32-15-5-9-19-38(32)43;2*1-2-11-28(12-3-1)43-36-17-7-4-13-31(36)33-25-26-34-32-14-5-8-18-37(32)44(42(34)41(33)43)29-23-21-27(22-24-29)30-16-10-20-39-40(30)35-15-6-9-19-38(35)45-39/h3*1-31H;3-28H,1-2H3;2*1-27H;2*1-26H |
| InChIKey | FMUOQOXXWLKNTQ-UHFFFAOYSA-N |
| XLogP | 95.11 |
| TPSA | 116.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 380 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4862.99 |
| LogP ≤ 5 | 95.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 23 |