C153H96N16S — CID 161317954
3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole (PubChem CID 161317954) has the molecular formula C153H96N16S and a molecular weight of 2190.63 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole.
| Compound Name | 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole |
|---|---|
| PubChem CID | 161317954 |
| Molecular Formula | C153H96N16S |
| Molecular Weight | 2190.63 g/mol |
| Exact Mass | 2188.77 |
| IUPAC Name | 3-carbazol-9-yl-9-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]carbazole;3-(9-dibenzothiophen-2-ylcarbazol-4-yl)-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole |
| SMILES | c1ccc(-c2cccc(-n3c4ccccc4c4c(-c5ccc6c(c5)c5ccccc5n6-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)cccc43)c2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-c5cccc6c5c5ccccc5n6-c5ccc6sc7ccccc7c6c5)ccc43)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)ccc43)n2)cc1 |
| InChI | InChI=1S/C51H32N6.C51H31N5S.C51H33N5/c1-3-15-33(16-4-1)49-52-50(34-17-5-2-6-18-34)54-51(53-49)57-46-26-14-10-22-40(46)42-32-36(28-30-48(42)57)56-45-25-13-9-21-39(45)41-31-35(27-29-47(41)56)55-43-23-11-7-19-37(43)38-20-8-12-24-44(38)55;1-3-14-32(15-4-1)49-52-50(33-16-5-2-6-17-33)54-51(53-49)56-42-22-10-7-18-37(42)40-30-34(26-28-44(40)56)36-21-13-24-45-48(36)39-20-8-11-23-43(39)55(45)35-27-29-47-41(31-35)38-19-9-12-25-46(38)57-47;1-4-16-34(17-5-1)37-22-14-23-39(32-37)55-45-28-13-11-25-42(45)48-40(26-15-29-47(48)55)38-30-31-46-43(33-38)41-24-10-12-27-44(41)56(46)51-53-49(35-18-6-2-7-19-35)52-50(54-51)36-20-8-3-9-21-36/h1-32H;1-31H;1-33H |
| InChIKey | VJTCJUGAQYFUMG-UHFFFAOYSA-N |
| XLogP | 38.67 |
| TPSA | 150.52 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2190.63 |
| LogP ≤ 5 | 38.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 17 |