C129H84O3 — CID 159547141
4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran (PubChem CID 159547141) has the molecular formula C129H84O3 and a molecular weight of 1682.09 g/mol. Its IUPAC name is 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran.
| Compound Name | 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran |
|---|---|
| PubChem CID | 159547141 |
| Molecular Formula | C129H84O3 |
| Molecular Weight | 1682.09 g/mol |
| Exact Mass | 1680.64 |
| IUPAC Name | 4-phenyl-6-[2-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran;4-phenyl-6-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran |
| SMILES | c1ccc(-c2cccc3c2oc2c(-c4ccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)cc4)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4cccc(C5(c6ccccc6)c6ccccc6-c6ccccc65)c4)cccc23)cc1.c1ccc(-c2cccc3c2oc2c(-c4ccccc4C4(c5ccccc5)c5ccccc5-c5ccccc54)cccc23)cc1 |
| InChI | InChI=1S/3C43H28O/c1-3-15-29(16-4-1)31-22-13-24-36-37-25-14-23-35(42(37)44-41(31)36)34-21-9-12-28-40(34)43(30-17-5-2-6-18-30)38-26-10-7-19-32(38)33-20-8-11-27-39(33)43;1-3-14-29(15-4-1)33-22-12-24-37-38-25-13-23-34(42(38)44-41(33)37)30-16-11-19-32(28-30)43(31-17-5-2-6-18-31)39-26-9-7-20-35(39)36-21-8-10-27-40(36)43;1-3-13-29(14-4-1)33-19-11-21-37-38-22-12-20-34(42(38)44-41(33)37)30-25-27-32(28-26-30)43(31-15-5-2-6-16-31)39-23-9-7-17-35(39)36-18-8-10-24-40(36)43/h3*1-28H |
| InChIKey | MEYFFGKEIVMWKI-UHFFFAOYSA-N |
| XLogP | 33.85 |
| TPSA | 39.42 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Heavy Atoms | 132 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1682.09 |
| LogP ≤ 5 | 33.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |