C191H123N19 — CID 165100535
5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole];11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole (PubChem CID 165100535) has the molecular formula C191H123N19 and a molecular weight of 2684.22 g/mol. Its IUPAC name is 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole];11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole.
| Compound Name | 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole];11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 165100535 |
| Molecular Formula | C191H123N19 |
| Molecular Weight | 2684.22 g/mol |
| Exact Mass | 2682.02 |
| IUPAC Name | 5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-dimethylindeno[2,1-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-7,7-diphenylindeno[2,1-b]carbazole;5'-(4,6-diphenyl-1,3,5-triazin-2-yl)spiro[fluorene-9,7'-indeno[2,1-b]carbazole];11-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazole |
| SMILES | CC1(C)c2ccccc2-c2cc3c4ccccc4n(-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)c3cc21.c1ccc(-c2ccc(-c3nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)nc(-n4c5ccccc5c5ccc6c7ccccc7n(-c7ccccc7)c6c54)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C(c3ccccc3)(c3ccccc3)c3ccccc3-5)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc5c(cc43)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)n2)cc1 |
| InChI | InChI=1S/C63H39N7.C46H28N4.C46H30N4.C36H26N4/c1-4-18-40(19-5-1)41-32-34-42(35-33-41)61-64-62(69-55-30-16-12-26-47(55)51-38-36-49-45-24-10-14-28-53(45)67(57(49)59(51)69)43-20-6-2-7-21-43)66-63(65-61)70-56-31-17-13-27-48(56)52-39-37-50-46-25-11-15-29-54(46)68(58(50)60(52)70)44-22-8-3-9-23-44;1-3-15-29(16-4-1)43-47-44(30-17-5-2-6-18-30)49-45(48-43)50-41-26-14-10-22-34(41)36-27-35-33-21-9-13-25-39(33)46(40(35)28-42(36)50)37-23-11-7-19-31(37)32-20-8-12-24-38(32)46;1-5-17-31(18-6-1)43-47-44(32-19-7-2-8-20-32)49-45(48-43)50-41-28-16-14-26-36(41)38-29-37-35-25-13-15-27-39(35)46(40(37)30-42(38)50,33-21-9-3-10-22-33)34-23-11-4-12-24-34;1-36(2)29-19-11-9-17-25(29)27-21-28-26-18-10-12-20-31(26)40(32(28)22-30(27)36)35-38-33(23-13-5-3-6-14-23)37-34(39-35)24-15-7-4-8-16-24/h1-39H;1-28H;1-30H;3-22H,1-2H3 |
| InChIKey | YGAOUTHWPFUJAH-UHFFFAOYSA-N |
| XLogP | 45.51 |
| TPSA | 189.19 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2684.22 |
| LogP ≤ 5 | 45.51 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |