C195H125N13OS — CID 160894283
12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole (PubChem CID 160894283) has the molecular formula C195H125N13OS and a molecular weight of 2698.30 g/mol. Its IUPAC name is 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole.
| Compound Name | 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 160894283 |
| Molecular Formula | C195H125N13OS |
| Molecular Weight | 2698.30 g/mol |
| Exact Mass | 2695.99 |
| IUPAC Name | 12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzofuro[2,3-a]carbazole;5-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-[1]benzothiolo[3,2-c]carbazole;12-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-11-phenylindolo[2,3-a]carbazole |
| SMILES | c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6c7sc8ccccc8c7ccc65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7c8ccccc8n(-c8ccccc8)c7c65)c(-c5ccccc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)c(-n5c6ccccc6c6ccc7c8ccccc8oc7c65)c(-c5ccccc5)c4)n3)cc2)cc1 |
| InChI | InChI=1S/C69H45N5.C63H40N4O.C63H40N4S/c1-6-20-46(21-7-1)48-34-38-52(39-35-48)67-70-68(53-40-36-49(37-41-53)47-22-8-2-9-23-47)72-69(71-67)54-44-60(50-24-10-3-11-25-50)64(61(45-54)51-26-12-4-13-27-51)74-63-33-19-17-31-57(63)59-43-42-58-56-30-16-18-32-62(56)73(65(58)66(59)74)55-28-14-5-15-29-55;1-5-17-41(18-6-1)43-29-33-47(34-30-43)61-64-62(48-35-31-44(32-36-48)42-19-7-2-8-20-42)66-63(65-61)49-39-54(45-21-9-3-10-22-45)58(55(40-49)46-23-11-4-12-24-46)67-56-27-15-13-25-50(56)52-37-38-53-51-26-14-16-28-57(51)68-60(53)59(52)67;1-5-17-41(18-6-1)43-29-33-47(34-30-43)61-64-62(48-35-31-44(32-36-48)42-19-7-2-8-20-42)66-63(65-61)49-39-53(45-21-9-3-10-22-45)59(54(40-49)46-23-11-4-12-24-46)67-55-27-15-13-26-52(55)58-56(67)38-37-51-50-25-14-16-28-57(50)68-60(51)58/h1-45H;2*1-40H |
| InChIKey | SOQYHMMTDPMJMD-UHFFFAOYSA-N |
| XLogP | 51.28 |
| TPSA | 148.87 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 210 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2698.30 |
| LogP ≤ 5 | 51.28 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |