C235H141N23OS2 — CID 161158921
8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;8-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(5-phenyl-11H-indeno[1,2-b]carbazol-2-yl)carbazol-3-yl]indolo[3,2-b]carbazole (PubChem CID 161158921) has the molecular formula C235H141N23OS2 and a molecular weight of 3367.01 g/mol. Its IUPAC name is 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;8-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(5-phenyl-11H-indeno[1,2-b]carbazol-2-yl)carbazol-3-yl]indolo[3,2-b]carbazole.
| Compound Name | 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;8-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(5-phenyl-11H-indeno[1,2-b]carbazol-2-yl)carbazol-3-yl]indolo[3,2-b]carbazole |
|---|---|
| PubChem CID | 161158921 |
| Molecular Formula | C235H141N23OS2 |
| Molecular Weight | 3367.01 g/mol |
| Exact Mass | 3364.11 |
| IUPAC Name | 8-[8-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]dibenzothiophen-2-yl]-11-phenyl-[1]benzothiolo[3,2-b]carbazole;8-[6-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenylindolo[3,2-b]carbazol-2-yl]-9-(1,3,5-triazin-2-yl)carbazol-3-yl]-11-phenyl-[1]benzofuro[3,2-b]carbazole;5-(4,6-diphenyl-1,3,5-triazin-2-yl)-11-phenyl-2-[9-phenyl-6-(5-phenyl-11H-indeno[1,2-b]carbazol-2-yl)carbazol-3-yl]indolo[3,2-b]carbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9c(cc7n8-c7ccccc7)-c7ccccc7C9)ccc5n6-c5ccccc5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6c(c5)c5cc(-c7ccc8c(c7)c7cc9oc%10ccccc%10c9cc7n8-c7ccccc7)ccc5n6-c5ncncn5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccc(-c5ccc6sc7ccc(-c8ccc9c(c8)c8cc%10sc%11ccccc%11c%10cc8n9-c8ccccc8)cc7c6c5)cc4c4cc5c(cc43)c3ccccc3n5-c3ccccc3)n2)cc1 |
| InChI | InChI=1S/C82H51N7.C78H46N10O.C75H44N6S2/c1-6-20-51(21-7-1)80-83-81(52-22-8-2-9-23-52)85-82(84-80)89-76-41-37-56(46-68(76)71-50-78-70(49-79(71)89)63-32-18-19-33-72(63)87(78)60-27-12-4-13-28-60)54-35-39-74-66(44-54)65-43-53(34-38-73(65)86(74)59-25-10-3-11-26-59)55-36-40-75-67(45-55)69-47-58-42-57-24-16-17-31-62(57)64(58)48-77(69)88(75)61-29-14-5-15-30-61;1-5-17-47(18-6-1)75-82-76(48-19-7-2-8-20-48)84-78(83-75)88-69-36-32-52(39-59(69)62-42-70-61(41-72(62)88)55-25-13-15-27-65(55)85(70)53-21-9-3-10-22-53)51-31-35-68-58(38-51)57-37-50(30-34-67(57)87(68)77-80-45-79-46-81-77)49-29-33-66-60(40-49)63-44-74-64(56-26-14-16-28-73(56)89-74)43-71(63)86(66)54-23-11-4-12-24-54;1-5-17-45(18-6-1)73-76-74(46-19-7-2-8-20-46)78-75(77-73)81-65-34-30-48(37-55(65)58-42-66-57(41-68(58)81)53-25-13-15-27-63(53)79(66)51-21-9-3-10-22-51)50-32-36-71-61(40-50)60-39-49(31-35-70(60)82-71)47-29-33-64-56(38-47)59-44-72-62(54-26-14-16-28-69(54)83-72)43-67(59)80(64)52-23-11-4-12-24-52/h1-41,43-50H,42H2;1-46H;1-44H |
| InChIKey | UPQZUWNOKXAWDD-UHFFFAOYSA-N |
| XLogP | 60.08 |
| TPSA | 222.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 261 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3367.01 |
| LogP ≤ 5 | 60.08 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 26 |