C210H138N8 — CID 159018635
3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole (PubChem CID 159018635) has the molecular formula C210H138N8 and a molecular weight of 2773.47 g/mol. Its IUPAC name is 3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole.
| Compound Name | 3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole |
|---|---|
| PubChem CID | 159018635 |
| Molecular Formula | C210H138N8 |
| Molecular Weight | 2773.47 g/mol |
| Exact Mass | 2771.10 |
| IUPAC Name | 3,6-dinaphthalen-1-yl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-(9-phenylcarbazol-2-yl)phenyl]carbazole;3,6-diphenyl-9-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]carbazole;9-[3-(9-naphthalen-1-ylcarbazol-2-yl)phenyl]-3,6-diphenylcarbazole |
| SMILES | c1ccc(-c2ccc(-n3c4ccccc4c4ccc(-c5cccc(-n6c7ccc(-c8ccccc8)cc7c7cc(-c8ccccc8)ccc76)c5)cc43)cc2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ccc4c5ccccc5n(-c5cccc6ccccc56)c4c3)c2)cc1.c1ccc(-c2ccc3c(c2)c2cc(-c4ccccc4)ccc2n3-c2cccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c2)cc1.c1ccc(-n2c3ccccc3c3ccc(-c4cccc(-n5c6ccc(-c7cccc8ccccc78)cc6c6cc(-c7cccc8ccccc78)ccc65)c4)cc32)cc1 |
| InChI | InChI=1S/C56H36N2.C54H36N2.C52H34N2.C48H32N2/c1-2-18-43(19-3-1)57-53-26-9-8-23-49(53)50-30-27-40(36-56(50)57)39-17-10-20-44(33-39)58-54-31-28-41(47-24-11-15-37-13-4-6-21-45(37)47)34-51(54)52-35-42(29-32-55(52)58)48-25-12-16-38-14-5-7-22-46(38)48;1-4-13-37(14-5-1)40-23-28-45(29-24-40)55-51-22-11-10-21-47(51)48-30-25-44(36-54(48)55)41-19-12-20-46(33-41)56-52-31-26-42(38-15-6-2-7-16-38)34-49(52)50-35-43(27-32-53(50)56)39-17-8-3-9-18-39;1-3-13-35(14-4-1)39-26-29-50-46(32-39)47-33-40(36-15-5-2-6-16-36)27-30-51(47)53(50)42-20-11-19-38(31-42)41-25-28-45-44-22-9-10-23-49(44)54(52(45)34-41)48-24-12-18-37-17-7-8-21-43(37)48;1-4-13-33(14-5-1)36-24-27-46-43(30-36)44-31-37(34-15-6-2-7-16-34)25-28-47(44)50(46)40-20-12-17-35(29-40)38-23-26-42-41-21-10-11-22-45(41)49(48(42)32-38)39-18-8-3-9-19-39/h1-36H;1-36H;1-34H;1-32H |
| InChIKey | JTKGCULACFQQOI-UHFFFAOYSA-N |
| XLogP | 56.65 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 218 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2773.47 |
| LogP ≤ 5 | 56.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |