C418H270O5S2 — CID 162247966
1-[9,10-bis(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzothiophene;1-(9,10-diphenylanthracen-2-yl)dibenzofuran;1-(9,10-diphenylanthracen-2-yl)dibenzothiophene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(2-phenylphenyl)anthracene;1-[10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracen-2-yl]dibenzofuran (PubChem CID 162247966) has the molecular formula C418H270O5S2 and a molecular weight of 5436.89 g/mol. Its IUPAC name is 1-[9,10-bis(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzothiophene;1-(9,10-diphenylanthracen-2-yl)dibenzofuran;1-(9,10-diphenylanthracen-2-yl)dibenzothiophene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(2-phenylphenyl)anthracene;1-[10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracen-2-yl]dibenzofuran.
| Compound Name | 1-[9,10-bis(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzothiophene;1-(9,10-diphenylanthracen-2-yl)dibenzofuran;1-(9,10-diphenylanthracen-2-yl)dibenzothiophene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(2-phenylphenyl)anthracene;1-[10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracen-2-yl]dibenzofuran |
|---|---|
| PubChem CID | 162247966 |
| Molecular Formula | C418H270O5S2 |
| Molecular Weight | 5436.89 g/mol |
| Exact Mass | 5432.03 |
| IUPAC Name | 1-[9,10-bis(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[9,10-bis(4-phenylphenyl)anthracen-2-yl]dibenzothiophene;1-(9,10-diphenylanthracen-2-yl)dibenzofuran;1-(9,10-diphenylanthracen-2-yl)dibenzothiophene;2-naphthalen-1-yl-10-(2-phenylphenyl)-9-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(2-phenylphenyl)anthracene;1-[10-(2-phenylphenyl)-9-(3-phenylphenyl)anthracen-2-yl]dibenzofuran;1-[10-(3-phenylphenyl)-9-(4-phenylphenyl)anthracen-2-yl]dibenzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc5oc6ccccc6c45)ccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc5sc6ccccc6c45)ccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5cccc6oc7ccccc7c56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5cccc6sc7ccccc7c56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccc(-c5cccc6oc7ccccc7c56)cc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccc(-c5cccc6ccccc56)cc34)cc2)cc1.c1ccc(-c2ccc3c(-c4ccccc4-c4ccccc4)c4ccccc4c(-c4ccccc4-c4ccccc4)c3c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4cc(-c5cccc6oc7ccccc7c56)ccc34)c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccc(-c5cccc6oc7ccccc7c56)cc34)c2)cc1 |
| InChI | InChI=1S/4C50H32O.C50H32S.C48H32.C44H30.C38H24O.C38H24S/c1-3-14-33(15-4-1)35-18-11-20-38(30-35)48-41-22-7-8-23-42(41)49(39-21-12-19-36(31-39)34-16-5-2-6-17-34)45-32-37(28-29-43(45)48)40-25-13-27-47-50(40)44-24-9-10-26-46(44)51-47;1-3-13-33(14-4-1)35-25-27-36(28-26-35)48-41-19-7-8-20-42(41)49(39-18-11-17-37(31-39)34-15-5-2-6-16-34)43-30-29-38(32-45(43)48)40-22-12-24-47-50(40)44-21-9-10-23-46(44)51-47;1-3-15-33(16-4-1)35-19-13-20-37(31-35)48-41-23-9-10-24-42(41)49(40-22-8-7-21-38(40)34-17-5-2-6-18-34)43-30-29-36(32-45(43)48)39-26-14-28-47-50(39)44-25-11-12-27-46(44)51-47;2*1-3-12-33(13-4-1)35-22-26-37(27-23-35)48-41-16-7-8-17-42(41)49(38-28-24-36(25-29-38)34-14-5-2-6-15-34)45-32-39(30-31-43(45)48)40-19-11-21-47-50(40)44-18-9-10-20-46(44)51-47;1-3-14-33(15-4-1)34-26-28-37(29-27-34)47-43-23-11-12-24-44(43)48(42-22-10-9-21-40(42)35-16-5-2-6-17-35)45-31-30-38(32-46(45)47)41-25-13-19-36-18-7-8-20-39(36)41;1-4-16-31(17-5-1)34-28-29-41-42(30-34)44(38-25-13-11-23-36(38)33-20-8-3-9-21-33)40-27-15-14-26-39(40)43(41)37-24-12-10-22-35(37)32-18-6-2-7-19-32;2*1-3-12-25(13-4-1)36-29-16-7-8-17-30(29)37(26-14-5-2-6-15-26)33-24-27(22-23-31(33)36)28-19-11-21-35-38(28)32-18-9-10-20-34(32)39-35/h5*1-32H;1-32H;1-30H;2*1-24H |
| InChIKey | ZXPGMKQAPCJFNY-UHFFFAOYSA-N |
| XLogP | 119.67 |
| TPSA | 65.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 7 |
| Rotatable Bonds | 41 |
| Heavy Atoms | 425 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5436.89 |
| LogP ≤ 5 | 119.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |