C248H162OS — CID 164981565
9,10-bis(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzothiophene;9-(2-phenylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene (PubChem CID 164981565) has the molecular formula C248H162OS and a molecular weight of 3190.09 g/mol. Its IUPAC name is 9,10-bis(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzothiophene;9-(2-phenylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene.
| Compound Name | 9,10-bis(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzothiophene;9-(2-phenylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 164981565 |
| Molecular Formula | C248H162OS |
| Molecular Weight | 3190.09 g/mol |
| Exact Mass | 3187.23 |
| IUPAC Name | 9,10-bis(4-phenylphenyl)anthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylphenyl)anthracene;1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzofuran;1-[4-(10-phenanthren-9-ylanthracen-9-yl)phenyl]dibenzothiophene;9-(2-phenylphenyl)-10-(4-phenylphenyl)anthracene;9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc(-c5ccccc5)c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4-c4ccccc4)c4ccccc34)cc2)cc1.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc(-c4cccc5oc6ccccc6c45)cc3)c3ccccc13)c1ccccc12.c1ccc2c(c1)cc(-c1c3ccccc3c(-c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccccc13)c1ccccc12 |
| InChI | InChI=1S/C46H28O.C46H28S.C42H28.3C38H26/c2*1-2-13-32-31(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)30-21-25-33(26-22-30)41-37-16-6-8-18-39(37)42(40-19-9-7-17-38(40)41)34-27-23-32(24-28-34)36-20-10-14-31-13-4-5-15-35(31)36;1-3-12-27(13-4-1)29-22-24-30(25-23-29)37-33-18-7-9-20-35(33)38(36-21-10-8-19-34(36)37)32-17-11-16-31(26-32)28-14-5-2-6-15-28;1-3-11-27(12-4-1)29-19-23-31(24-20-29)37-33-15-7-9-17-35(33)38(36-18-10-8-16-34(36)37)32-25-21-30(22-26-32)28-13-5-2-6-14-28;1-3-13-27(14-4-1)28-23-25-30(26-24-28)37-33-19-9-11-21-35(33)38(36-22-12-10-20-34(36)37)32-18-8-7-17-31(32)29-15-5-2-6-16-29/h2*1-28H;1-28H;3*1-26H |
| InChIKey | FOHTXQXREXUNAR-UHFFFAOYSA-N |
| XLogP | 70.67 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 250 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3190.09 |
| LogP ≤ 5 | 70.67 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
|---|