C433H305N13 — CID 159314295
11-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-naphthalen-2-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-3-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenanthren-3-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-triphenylen-2-ylindeno[2,1-a]carbazole;11-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12-(9,9-diphenylfluoren-2-yl)-11-phenylindolo[2,3-a]carbazole;12-phenanthren-3-yl-11-phenylindolo[2,3-a]carbazole (PubChem CID 159314295) has the molecular formula C433H305N13 and a molecular weight of 5690.29 g/mol. Its IUPAC name is 11-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-naphthalen-2-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-3-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenanthren-3-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-triphenylen-2-ylindeno[2,1-a]carbazole;11-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12-(9,9-diphenylfluoren-2-yl)-11-phenylindolo[2,3-a]carbazole;12-phenanthren-3-yl-11-phenylindolo[2,3-a]carbazole.
| Compound Name | 11-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-naphthalen-2-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-3-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenanthren-3-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-triphenylen-2-ylindeno[2,1-a]carbazole;11-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12-(9,9-diphenylfluoren-2-yl)-11-phenylindolo[2,3-a]carbazole;12-phenanthren-3-yl-11-phenylindolo[2,3-a]carbazole |
|---|---|
| PubChem CID | 159314295 |
| Molecular Formula | C433H305N13 |
| Molecular Weight | 5690.29 g/mol |
| Exact Mass | 5685.43 |
| IUPAC Name | 11-(9,9-dimethylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12,12-dimethyl-11-naphthalen-2-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-naphthalen-2-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-3-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-phenanthren-9-ylindeno[2,1-a]carbazole;12,12-dimethyl-11-(3-phenanthren-3-ylphenyl)indeno[2,1-a]carbazole;12,12-dimethyl-11-(9,9'-spirobi[fluorene]-2-yl)indeno[2,1-a]carbazole;12,12-dimethyl-11-triphenylen-2-ylindeno[2,1-a]carbazole;11-(9,9-diphenylfluoren-2-yl)-12,12-dimethylindeno[2,1-a]carbazole;12-(9,9-diphenylfluoren-2-yl)-11-phenylindolo[2,3-a]carbazole;12-phenanthren-3-yl-11-phenylindolo[2,3-a]carbazole |
| SMILES | CC1(C)c2ccccc2-c2ccc(-n3c4ccccc4c4ccc5c(c43)C(C)(C)c3ccccc3-5)cc21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cc5ccccc5c5ccccc45)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5c6ccccc6c6ccccc6c5c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ccc6ccccc6c5c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4ccc5ccccc5c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5ccc6ccc7ccccc7c6c5)c4)c3c21.CC1(C)c2ccccc2-c2ccc3c4ccccc4n(-c4cccc(-c5ccc6ccccc6c5)c4)c3c21.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4c32)cc1.c1ccc(-n2c3ccccc3c3ccc4c5ccccc5n(-c5ccc6ccc7ccccc7c6c5)c4c32)cc1 |
| InChI | InChI=1S/C49H32N2.C46H31N.C46H33N.C41H29N.C39H27N.C38H24N2.C37H27N.C36H29N.2C35H25N.C31H23N/c1-4-16-33(17-5-1)49(34-18-6-2-7-19-34)43-25-13-10-22-37(43)38-29-28-36(32-44(38)49)51-46-27-15-12-24-40(46)42-31-30-41-39-23-11-14-26-45(39)50(47(41)48(42)51)35-20-8-3-9-21-35;1-45(2)37-18-8-3-16-32(37)35-25-26-36-34-17-7-12-22-42(34)47(44(36)43(35)45)28-23-24-33-31-15-6-11-21-40(31)46(41(33)27-28)38-19-9-4-13-29(38)30-14-5-10-20-39(30)46;1-45(2)39-22-12-9-20-34(39)37-27-28-38-36-21-11-14-24-42(36)47(44(38)43(37)45)32-25-26-35-33-19-10-13-23-40(33)46(41(35)29-32,30-15-5-3-6-16-30)31-17-7-4-8-18-31;1-41(2)37-16-7-5-14-32(37)34-22-23-35-33-15-6-8-17-38(33)42(40(35)39(34)41)30-12-9-11-28(24-30)29-21-20-27-19-18-26-10-3-4-13-31(26)36(27)25-29;1-39(2)35-17-9-7-15-30(35)32-21-22-33-31-16-8-10-18-36(31)40(38(33)37(32)39)24-19-20-29-27-13-4-3-11-25(27)26-12-5-6-14-28(26)34(29)23-24;1-2-11-27(12-3-1)39-35-16-8-6-14-30(35)32-22-23-33-31-15-7-9-17-36(31)40(38(33)37(32)39)28-21-20-26-19-18-25-10-4-5-13-29(25)34(26)24-28;1-37(2)33-16-7-5-14-29(33)31-20-21-32-30-15-6-8-17-34(30)38(36(32)35(31)37)28-13-9-12-26(23-28)27-19-18-24-10-3-4-11-25(24)22-27;1-35(2)29-14-8-5-11-23(29)25-18-17-22(21-31(25)35)37-32-16-10-7-13-26(32)28-20-19-27-24-12-6-9-15-30(24)36(3,4)33(27)34(28)37;1-35(2)31-13-7-5-11-26(31)28-19-20-29-27-12-6-8-14-32(27)36(34(29)33(28)35)24-18-17-23-16-15-22-9-3-4-10-25(22)30(23)21-24;1-35(2)30-17-9-7-14-25(30)28-19-20-29-27-16-8-10-18-31(27)36(34(29)33(28)35)32-21-22-11-3-4-12-23(22)24-13-5-6-15-26(24)32;1-31(2)27-13-7-5-11-23(27)25-17-18-26-24-12-6-8-14-28(24)32(30(26)29(25)31)22-16-15-20-9-3-4-10-21(20)19-22/h1-32H;3-27H,1-2H3;3-29H,1-2H3;3-25H,1-2H3;3-23H,1-2H3;1-24H;3-23H,1-2H3;5-21H,1-4H3;2*3-21H,1-2H3;3-19H,1-2H3 |
| InChIKey | LCYBIEMTRRLZRA-UHFFFAOYSA-N |
| XLogP | 113.27 |
| TPSA | 64.09 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 446 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5690.29 |
| LogP ≤ 5 | 113.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |