C147H94N6 — CID 161056569
6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[2,3-c]carbazole (PubChem CID 161056569) has the molecular formula C147H94N6 and a molecular weight of 1944.41 g/mol. Its IUPAC name is 6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[2,3-c]carbazole.
| Compound Name | 6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[2,3-c]carbazole |
|---|---|
| PubChem CID | 161056569 |
| Molecular Formula | C147H94N6 |
| Molecular Weight | 1944.41 g/mol |
| Exact Mass | 1942.75 |
| IUPAC Name | 6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-3-phenylpyrrolo[2,3-c]carbazole;3-phenyl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]pyrrolo[2,3-c]carbazole;3-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)pyrrolo[2,3-c]carbazole |
| SMILES | c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc(-c6ccc7c(c6)C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5)c4ccc32)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4ccc32)cc1.c1ccc(-n2ccc3c4c5ccccc5n(-c5cccc(-c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c5)c4ccc32)cc1 |
| InChI | InChI=1S/C51H32N2.C51H34N2.C45H28N2/c1-2-12-35(13-3-1)52-31-30-42-47(52)28-29-49-50(42)41-17-7-11-21-48(41)53(49)36-25-22-33(23-26-36)34-24-27-40-39-16-6-10-20-45(39)51(46(40)32-34)43-18-8-4-14-37(43)38-15-5-9-19-44(38)51;1-4-16-37(17-5-1)51(38-18-6-2-7-19-38)45-25-12-10-23-41(45)42-28-27-36(34-46(42)51)35-15-14-22-40(33-35)53-48-26-13-11-24-43(48)50-44-31-32-52(39-20-8-3-9-21-39)47(44)29-30-49(50)53;1-2-12-29(13-3-1)46-27-26-36-41(46)24-25-43-44(36)35-17-7-11-21-42(35)47(43)30-22-23-34-33-16-6-10-20-39(33)45(40(34)28-30)37-18-8-4-14-31(37)32-15-5-9-19-38(32)45/h1-32H;1-34H;1-28H |
| InChIKey | UCVIQMYUAODZLW-UHFFFAOYSA-N |
| XLogP | 36.57 |
| TPSA | 29.58 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 153 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1944.41 |
| LogP ≤ 5 | 36.57 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |