C186H118N22 — CID 159270827
12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole (PubChem CID 159270827) has the molecular formula C186H118N22 and a molecular weight of 2661.14 g/mol. Its IUPAC name is 12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole.
| Compound Name | 12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole |
|---|---|
| PubChem CID | 159270827 |
| Molecular Formula | C186H118N22 |
| Molecular Weight | 2661.14 g/mol |
| Exact Mass | 2658.99 |
| IUPAC Name | 12-[4-(3-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-[4-(4-carbazol-9-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-phenylindolo[3,2-c]carbazole;12-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)indolo[3,2-c]carbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c34)cc2)cc1.c1ccc(-c2nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4ccc5c(c6ccccc6n5-c5ccccc5)c43)n2)cc1 |
| InChI | InChI=1S/2C51H32N6.C45H29N5.C39H25N5/c1-3-16-33(17-4-1)49-52-50(34-18-15-21-36(32-34)56-42-26-11-7-22-37(42)38-23-8-12-27-43(38)56)54-51(53-49)57-44-28-13-9-24-39(44)40-30-31-46-47(48(40)57)41-25-10-14-29-45(41)55(46)35-19-5-2-6-20-35;1-3-15-33(16-4-1)49-52-50(34-27-29-36(30-28-34)55-42-23-11-7-19-37(42)38-20-8-12-24-43(38)55)54-51(53-49)57-44-25-13-9-21-39(44)40-31-32-46-47(48(40)57)41-22-10-14-26-45(41)56(46)35-17-5-2-6-18-35;1-4-14-30(15-5-1)31-24-26-34(27-25-31)49-39-23-13-11-21-37(39)41-40(49)29-28-36-35-20-10-12-22-38(35)50(42(36)41)45-47-43(32-16-6-2-7-17-32)46-44(48-45)33-18-8-3-9-19-33;1-4-14-26(15-5-1)37-40-38(27-16-6-2-7-17-27)42-39(41-37)44-32-22-12-10-20-29(32)30-24-25-34-35(36(30)44)31-21-11-13-23-33(31)43(34)28-18-8-3-9-19-28/h2*1-32H;1-29H;1-25H |
| InChIKey | KXROWJMYBFZLSE-UHFFFAOYSA-N |
| XLogP | 45.46 |
| TPSA | 203.98 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 22 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 208 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2661.14 |
| LogP ≤ 5 | 45.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 22 |