C166H112N2 — CID 158775048
2-[3-(7,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;2-[3-(11,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene (PubChem CID 158775048) has the molecular formula C166H112N2 and a molecular weight of 2134.74 g/mol. Its IUPAC name is 2-[3-(7,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;2-[3-(11,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene.
| Compound Name | 2-[3-(7,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;2-[3-(11,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene |
|---|---|
| PubChem CID | 158775048 |
| Molecular Formula | C166H112N2 |
| Molecular Weight | 2134.74 g/mol |
| Exact Mass | 2132.88 |
| IUPAC Name | 2-[3-(7,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;2-[3-(11,12-diphenyl-10,12-dihydroindeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyridine;10-[3-(3,5-diphenylphenyl)phenyl]-8,12-diphenyl-10,12-dihydroindeno[2,1-b]fluorene |
| SMILES | c1ccc(-c2cc(-c3ccccc3)cc(-c3cccc(C4c5cc(-c6ccccc6)ccc5-c5cc6c(cc54)C(c4ccccc4)c4ccccc4-6)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C4c5ccc(-c6ccccc6)cc5-c5cc6c(cc54)C(c4ccccc4)c4ccccc4-6)c3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(C4c5ccccc5-c5cc6c(c(-c7ccccc7)c54)C(c4ccccc4)c4ccccc4-6)c3)c2)cc1 |
| InChI | InChI=1S/C56H38.2C55H37N/c1-5-16-37(17-6-1)42-28-29-48-51-35-50-47-26-13-14-27-49(47)55(40-22-11-4-12-23-40)53(50)36-54(51)56(52(48)34-42)43-25-15-24-41(30-43)46-32-44(38-18-7-2-8-19-38)31-45(33-46)39-20-9-3-10-21-39;1-5-18-36(19-6-1)42-33-49(37-20-7-2-8-21-37)56-50(34-42)40-26-17-27-41(32-40)52-46-31-16-14-29-44(46)48-35-47-43-28-13-15-30-45(43)51(38-22-9-3-10-23-38)54(47)53(55(48)52)39-24-11-4-12-25-39;1-5-16-36(17-6-1)40-28-29-46-47(31-40)49-34-48-44-26-13-14-27-45(44)54(39-22-11-4-12-23-39)50(48)35-51(49)55(46)42-25-15-24-41(30-42)53-33-43(37-18-7-2-8-19-37)32-52(56-53)38-20-9-3-10-21-38/h1-36,55-56H;1-35,51-52H;1-35,54-55H |
| InChIKey | IQJFLTDHMKZPQM-UHFFFAOYSA-N |
| XLogP | 42.82 |
| TPSA | 25.78 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 168 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2134.74 |
| LogP ≤ 5 | 42.82 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |