C157H104N8 — CID 158463997
9-[3-[4-carbazol-9-yl-2-(9H-fluoren-9-yl)phenyl]phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazole;9-[2-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole (PubChem CID 158463997) has the molecular formula C157H104N8 and a molecular weight of 2102.61 g/mol. Its IUPAC name is 9-[3-[4-carbazol-9-yl-2-(9H-fluoren-9-yl)phenyl]phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazole;9-[2-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole.
| Compound Name | 9-[3-[4-carbazol-9-yl-2-(9H-fluoren-9-yl)phenyl]phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazole;9-[2-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole |
|---|---|
| PubChem CID | 158463997 |
| Molecular Formula | C157H104N8 |
| Molecular Weight | 2102.61 g/mol |
| Exact Mass | 2100.84 |
| IUPAC Name | 9-[3-[4-carbazol-9-yl-2-(9H-fluoren-9-yl)phenyl]phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazole;9-[2-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole |
| SMILES | c1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2C2c3ccccc3-c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1.c1cc(-c2cccc(-n3c4ccccc4c4ccccc43)c2)cc(-n2c3ccccc3c3ccccc32)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)c1.c1ccc(-n2c3ccccc3c3ccccc32)c(-c2ccccc2-n2c3ccccc3c3ccccc32)c1 |
| InChI | InChI=1S/C49H32N2.3C36H24N2/c1-3-22-42-36(16-1)37-17-2-4-23-43(37)49(42)44-31-34(51-47-26-11-7-20-40(47)41-21-8-12-27-48(41)51)28-29-35(44)32-14-13-15-33(30-32)50-45-24-9-5-18-38(45)39-19-6-10-25-46(39)50;1-7-19-31-25(13-1)26-14-2-8-20-32(26)37(31)35-23-11-5-17-29(35)30-18-6-12-24-36(30)38-33-21-9-3-15-27(33)28-16-4-10-22-34(28)38;1-6-16-32(38-35-19-9-4-14-30(35)31-15-5-10-20-36(31)38)27(11-1)25-21-23-26(24-22-25)37-33-17-7-2-12-28(33)29-13-3-8-18-34(29)37;1-5-19-33-29(15-1)30-16-2-6-20-34(30)37(33)27-13-9-11-25(23-27)26-12-10-14-28(24-26)38-35-21-7-3-17-31(35)32-18-4-8-22-36(32)38/h1-31,49H;3*1-24H |
| InChIKey | HFNGLTCPOYFMKC-UHFFFAOYSA-N |
| XLogP | 41.35 |
| TPSA | 39.44 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 165 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2102.61 |
| LogP ≤ 5 | 41.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |