C162H103N19 — CID 160628676
3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole (PubChem CID 160628676) has the molecular formula C162H103N19 and a molecular weight of 2315.74 g/mol. Its IUPAC name is 3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole.
| Compound Name | 3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole |
|---|---|
| PubChem CID | 160628676 |
| Molecular Formula | C162H103N19 |
| Molecular Weight | 2315.74 g/mol |
| Exact Mass | 2313.86 |
| IUPAC Name | 3-(9H-carbazol-3-yl)-9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazole;9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3-[9-[5-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridinyl]carbazol-3-yl]-9-phenylcarbazole |
| SMILES | c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7[nH]c8ccccc8c7c6)ccc54)nc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc54)nc3)n2)cc1 |
| InChI | InChI=1S/C68H43N7.C50H32N6.C44H28N6/c1-5-17-44(18-6-1)66-70-67(45-19-7-2-8-20-45)72-68(71-66)50-33-38-65(69-43-50)75-63-36-31-48(46-29-34-61-55(39-46)53-25-13-15-27-59(53)73(61)51-21-9-3-10-22-51)41-57(63)58-42-49(32-37-64(58)75)47-30-35-62-56(40-47)54-26-14-16-28-60(54)74(62)52-23-11-4-12-24-52;1-4-14-33(15-5-1)48-52-49(34-16-6-2-7-17-34)54-50(53-48)37-26-29-47(51-32-37)56-44-23-13-11-21-40(44)42-31-36(25-28-46(42)56)35-24-27-45-41(30-35)39-20-10-12-22-43(39)55(45)38-18-8-3-9-19-38;1-3-11-28(12-4-1)42-47-43(29-13-5-2-6-14-29)49-44(48-42)32-21-24-41(45-27-32)50-39-18-10-8-16-34(39)36-26-31(20-23-40(36)50)30-19-22-38-35(25-30)33-15-7-9-17-37(33)46-38/h1-43H;1-32H;1-27,46H |
| InChIKey | RHQHHEJQRRCDFO-UHFFFAOYSA-N |
| XLogP | 39.69 |
| TPSA | 200.05 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 181 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2315.74 |
| LogP ≤ 5 | 39.69 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 18 |