C185H122N10 — CID 160929047
1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole (PubChem CID 160929047) has the molecular formula C185H122N10 and a molecular weight of 2485.08 g/mol. Its IUPAC name is 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole.
| Compound Name | 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole |
|---|---|
| PubChem CID | 160929047 |
| Molecular Formula | C185H122N10 |
| Molecular Weight | 2485.08 g/mol |
| Exact Mass | 2482.99 |
| IUPAC Name | 1,3-di(carbazol-9-yl)-9-[4-(3,6-dimethylcarbazol-9-yl)phenyl]-6-methylcarbazole;1,3-di(carbazol-9-yl)-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole;1,3-di(carbazol-9-yl)-6-phenyl-9-[4-(9-phenylfluoren-9-yl)phenyl]carbazole |
| SMILES | Cc1ccc2c(c1)c1cc(C)ccc1n2-c1ccc(-n2c3ccc(C)cc3c3cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c32)cc1.c1ccc(-c2ccc3c(c2)c2cc(-n4c5ccccc5c5ccccc54)cc(-n4c5ccccc5c5ccccc54)c2n3-c2ccc(C3(c4ccccc4)c4ccccc4-c4ccccc43)cc2)cc1.c1ccc(C2(c3ccc(-n4c5ccccc5c5cc(-n6c7ccccc7c7ccccc76)cc(-n6c7ccccc7c7ccccc76)c54)cc3)c3ccccc3-c3ccccc32)cc1 |
| InChI | InChI=1S/C67H43N3.C61H39N3.C57H40N4/c1-3-19-44(20-4-1)45-35-40-64-56(41-45)57-42-49(68-60-31-15-9-25-52(60)53-26-10-16-32-61(53)68)43-65(70-62-33-17-11-27-54(62)55-28-12-18-34-63(55)70)66(57)69(64)48-38-36-47(37-39-48)67(46-21-5-2-6-22-46)58-29-13-7-23-50(58)51-24-8-14-30-59(51)67;1-2-18-40(19-3-1)61(52-27-11-4-20-44(52)45-21-5-12-28-53(45)61)41-34-36-42(37-35-41)63-56-31-15-10-26-50(56)51-38-43(62-54-29-13-6-22-46(54)47-23-7-14-30-55(47)62)39-59(60(51)63)64-57-32-16-8-24-48(57)49-25-9-17-33-58(49)64;1-35-20-27-53-45(30-35)46-31-36(2)21-28-54(46)58(53)38-23-25-39(26-24-38)60-55-29-22-37(3)32-47(55)48-33-40(59-49-16-8-4-12-41(49)42-13-5-9-17-50(42)59)34-56(57(48)60)61-51-18-10-6-14-43(51)44-15-7-11-19-52(44)61/h1-43H;1-39H;4-34H,1-3H3 |
| InChIKey | STACNUBFPWPVCH-UHFFFAOYSA-N |
| XLogP | 47.35 |
| TPSA | 49.30 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 195 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2485.08 |
| LogP ≤ 5 | 47.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |