C153H96N12S3 — CID 158411014
9-[4-phenyl-6-[4-[3-(8-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-3-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole (PubChem CID 158411014) has the molecular formula C153H96N12S3 and a molecular weight of 2198.74 g/mol. Its IUPAC name is 9-[4-phenyl-6-[4-[3-(8-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-3-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole.
| Compound Name | 9-[4-phenyl-6-[4-[3-(8-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-3-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole |
|---|---|
| PubChem CID | 158411014 |
| Molecular Formula | C153H96N12S3 |
| Molecular Weight | 2198.74 g/mol |
| Exact Mass | 2196.70 |
| IUPAC Name | 9-[4-phenyl-6-[4-[3-(8-phenyldibenzothiophen-1-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-2-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole;9-[4-phenyl-6-[4-[3-(9-phenyldibenzothiophen-3-yl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole |
| SMILES | c1ccc(-c2ccc3sc4cccc(-c5cccc(-c6ccc(-c7nc(-c8ccccc8)nc(-n8c9ccccc9c9ccccc98)n7)cc6)c5)c4c3c2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6c(c5)sc5cccc(-c7ccccc7)c56)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cccc(-c5ccc6sc7cccc(-c8ccccc8)c7c6c5)c4)cc3)nc(-n3c4ccccc4c4ccccc43)n2)cc1 |
| InChI | InChI=1S/3C51H32N4S/c1-3-13-34(14-4-1)40-21-12-24-47-48(40)43-32-39(29-30-46(43)56-47)38-18-11-17-37(31-38)33-25-27-36(28-26-33)50-52-49(35-15-5-2-6-16-35)53-51(54-50)55-44-22-9-7-19-41(44)42-20-8-10-23-45(42)55;1-3-13-34(14-4-1)40-21-12-24-46-48(40)43-30-29-39(32-47(43)56-46)38-18-11-17-37(31-38)33-25-27-36(28-26-33)50-52-49(35-15-5-2-6-16-35)53-51(54-50)55-44-22-9-7-19-41(44)42-20-8-10-23-45(42)55;1-3-13-33(14-4-1)38-29-30-46-43(32-38)48-40(21-12-24-47(48)56-46)39-18-11-17-37(31-39)34-25-27-36(28-26-34)50-52-49(35-15-5-2-6-16-35)53-51(54-50)55-44-22-9-7-19-41(44)42-20-8-10-23-45(42)55/h3*1-32H |
| InChIKey | GZHSDCAABGEODR-UHFFFAOYSA-N |
| XLogP | 41.01 |
| TPSA | 130.80 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 168 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2198.74 |
| LogP ≤ 5 | 41.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |