C159H108O2 — CID 159882490
4-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-11-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene (PubChem CID 159882490) has the molecular formula C159H108O2 and a molecular weight of 2050.61 g/mol. Its IUPAC name is 4-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-11-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene.
| Compound Name | 4-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-11-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene |
|---|---|
| PubChem CID | 159882490 |
| Molecular Formula | C159H108O2 |
| Molecular Weight | 2050.61 g/mol |
| Exact Mass | 2048.83 |
| IUPAC Name | 4-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]dibenzofuran;4-[3-[10-[3-(7,7-dimethylbenzo[c]fluoren-11-yl)phenyl]anthracen-9-yl]phenyl]dibenzofuran;7,7-dimethyl-11-[3-[10-(3-phenylphenyl)anthracen-9-yl]phenyl]benzo[c]fluorene |
| SMILES | CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6cccc7c6oc6ccccc67)c5)c5ccccc45)c3)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cccc(-c6ccccc6)c5)c5ccccc45)c3)c2-c2c1ccc1ccccc21.CC1(C)c2cccc(-c3cccc(-c4c5ccccc5c(-c5cccc6c5oc5ccccc56)c5ccccc45)c3)c2-c2c1ccc1ccccc21 |
| InChI | InChI=1S/C57H38O.C51H34O.C51H36/c1-57(2)49-29-14-26-41(55(49)54-40-20-4-3-15-35(40)31-32-50(54)57)36-16-11-18-38(33-36)52-44-22-5-7-24-46(44)53(47-25-8-6-23-45(47)52)39-19-12-17-37(34-39)42-27-13-28-48-43-21-9-10-30-51(43)58-56(42)48;1-51(2)43-26-13-23-35(49(43)48-34-17-4-3-14-31(34)28-29-44(48)51)32-15-11-16-33(30-32)46-37-19-5-7-21-39(37)47(40-22-8-6-20-38(40)46)42-25-12-24-41-36-18-9-10-27-45(36)52-50(41)42;1-51(2)45-28-14-27-40(50(45)49-39-22-7-6-17-34(39)29-30-46(49)51)36-19-13-21-38(32-36)48-43-25-10-8-23-41(43)47(42-24-9-11-26-44(42)48)37-20-12-18-35(31-37)33-15-4-3-5-16-33/h3-34H,1-2H3;3-30H,1-2H3;3-32H,1-2H3 |
| InChIKey | NTRUZJBFMZOEFK-UHFFFAOYSA-N |
| XLogP | 44.49 |
| TPSA | 26.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Heavy Atoms | 161 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2050.61 |
| LogP ≤ 5 | 44.49 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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