C206H149N5 — CID 157484396
5-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;12,12-dimethyl-5-(3-naphthalen-2-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(3-phenanthren-3-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[1,2-c]carbazole;5-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole (PubChem CID 157484396) has the molecular formula C206H149N5 and a molecular weight of 2694.49 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;12,12-dimethyl-5-(3-naphthalen-2-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(3-phenanthren-3-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[1,2-c]carbazole;5-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole.
| Compound Name | 5-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;12,12-dimethyl-5-(3-naphthalen-2-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(3-phenanthren-3-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[1,2-c]carbazole;5-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole |
|---|---|
| PubChem CID | 157484396 |
| Molecular Formula | C206H149N5 |
| Molecular Weight | 2694.49 g/mol |
| Exact Mass | 2692.18 |
| IUPAC Name | 5-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole;12,12-dimethyl-5-(3-naphthalen-2-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(3-phenanthren-3-ylphenyl)indeno[1,2-c]carbazole;12,12-dimethyl-5-(9,9'-spirobi[fluorene]-2-yl)indeno[1,2-c]carbazole;5-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[1,2-c]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4c5c(ccc43)-c3ccccc3C5(C)C)cc21.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2c(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1-2.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2ccc3ccc4ccccc4c3c2)c1.CC1(C)c2ccccc2-c2ccc3c(c21)c1ccccc1n3-c1cccc(-c2ccc3ccccc3c2)c1 |
| InChI | InChI=1S/C46H31N.C46H33N.C41H29N.C37H27N.C36H29N/c1-45(2)36-18-8-3-16-32(36)34-25-26-42-43(44(34)45)35-17-7-12-22-41(35)47(42)28-23-24-33-31-15-6-11-21-39(31)46(40(33)27-28)37-19-9-4-13-29(37)30-14-5-10-20-38(30)46;1-45(2)38-22-12-9-20-34(38)36-27-28-42-43(44(36)45)37-21-11-14-24-41(37)47(42)32-25-26-35-33-19-10-13-23-39(33)46(40(35)29-32,30-15-5-3-6-16-30)31-17-7-4-8-18-31;1-41(2)36-16-7-5-14-32(36)33-22-23-38-39(40(33)41)34-15-6-8-17-37(34)42(38)30-12-9-11-28(24-30)29-21-20-27-19-18-26-10-3-4-13-31(26)35(27)25-29;1-37(2)32-16-7-5-14-29(32)30-20-21-34-35(36(30)37)31-15-6-8-17-33(31)38(34)28-13-9-12-26(23-28)27-19-18-24-10-3-4-11-25(24)22-27;1-35(2)28-14-8-5-11-23(28)25-18-17-22(21-30(25)35)37-31-16-10-7-13-27(31)33-32(37)20-19-26-24-12-6-9-15-29(24)36(3,4)34(26)33/h3-27H,1-2H3;3-29H,1-2H3;3-25H,1-2H3;3-23H,1-2H3;5-21H,1-4H3 |
| InChIKey | BWNOIXYAWHFXMA-UHFFFAOYSA-N |
| XLogP | 53.26 |
| TPSA | 24.65 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Heavy Atoms | 211 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2694.49 |
| LogP ≤ 5 | 53.26 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|