C212H132O5 — CID 159453028
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran (PubChem CID 159453028) has the molecular formula C212H132O5 and a molecular weight of 2799.63 g/mol. Its IUPAC name is 1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran.
| Compound Name | 1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran |
|---|---|
| PubChem CID | 159453028 |
| Molecular Formula | C212H132O5 |
| Molecular Weight | 2799.63 g/mol |
| Exact Mass | 2797.26 |
| IUPAC Name | 1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-1-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-naphthalen-2-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran;1-[4-[1,2,3,4,5,6,7,8-octadeuterio-10-(4-phenylphenyl)anthracen-9-yl]phenyl]dibenzofuran |
| SMILES | [2H]c1c([2H])c([2H])c2c(-c3cc4ccccc4c4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4ccccc4)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccccc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3ccc4ccccc4c3)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c2c1[2H].[2H]c1c([2H])c([2H])c2c(-c3cccc4ccccc34)c3c([2H])c([2H])c([2H])c([2H])c3c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c2c1[2H] |
| InChI | InChI=1S/C46H28O.C44H28O.2C42H26O.C38H24O/c1-2-13-32-31(12-1)28-41(35-15-4-3-14-34(32)35)45-38-18-7-5-16-36(38)44(37-17-6-8-19-39(37)45)30-26-24-29(25-27-30)33-21-11-23-43-46(33)40-20-9-10-22-42(40)47-43;1-2-11-29(12-3-1)30-21-25-32(26-22-30)42-35-13-4-6-15-37(35)43(38-16-7-5-14-36(38)42)33-27-23-31(24-28-33)34-18-10-20-41-44(34)39-17-8-9-19-40(39)45-41;1-2-13-30-27(11-1)12-9-20-32(30)41-35-16-5-3-14-33(35)40(34-15-4-6-17-36(34)41)29-25-23-28(24-26-29)31-19-10-22-39-42(31)37-18-7-8-21-38(37)43-39;1-2-11-30-26-31(25-20-27(30)10-1)41-35-14-5-3-12-33(35)40(34-13-4-6-15-36(34)41)29-23-21-28(22-24-29)32-17-9-19-39-42(32)37-16-7-8-18-38(37)43-39;1-2-11-26(12-3-1)36-29-13-4-6-15-31(29)37(32-16-7-5-14-30(32)36)27-23-21-25(22-24-27)28-18-10-20-35-38(28)33-17-8-9-19-34(33)39-35/h1-28H;1-28H;2*1-26H;1-24H/i5D,6D,7D,8D,16D,17D,18D,19D;4D,5D,6D,7D,13D,14D,15D,16D;3D,4D,5D,6D,14D,15D,16D,17D;3D,4D,5D,6D,12D,13D,14D,15D;4D,5D,6D,7D,13D,14D,15D,16D |
| InChIKey | LTPSYMDXPJWGFS-UOAYETKPSA-N |
| XLogP | 60.75 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 217 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2799.63 |
| LogP ≤ 5 | 60.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |