C236H156 — CID 160579417
9,10-bis(3,5-diphenylphenyl)anthracene;9,10-dinaphthalen-1-ylanthracene;9-(3,5-dinaphthalen-1-ylphenyl)-10-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene (PubChem CID 160579417) has the molecular formula C236H156 and a molecular weight of 2991.84 g/mol. Its IUPAC name is 9,10-bis(3,5-diphenylphenyl)anthracene;9,10-dinaphthalen-1-ylanthracene;9-(3,5-dinaphthalen-1-ylphenyl)-10-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene.
| Compound Name | 9,10-bis(3,5-diphenylphenyl)anthracene;9,10-dinaphthalen-1-ylanthracene;9-(3,5-dinaphthalen-1-ylphenyl)-10-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene |
|---|---|
| PubChem CID | 160579417 |
| Molecular Formula | C236H156 |
| Molecular Weight | 2991.84 g/mol |
| Exact Mass | 2989.22 |
| IUPAC Name | 9,10-bis(3,5-diphenylphenyl)anthracene;9,10-dinaphthalen-1-ylanthracene;9-(3,5-dinaphthalen-1-ylphenyl)-10-phenylanthracene;9-naphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cc(-c4cccc5ccccc45)cc(-c4cccc5ccccc45)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3c4ccccc4c(-c4cc(-c5ccccc5)cc(-c5ccccc5)c4)c4ccccc34)c2)cc1.c1ccc2c(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C50H34.C46H30.C40H26.C36H24.C34H22.C30H20/c1-5-17-35(18-6-1)39-29-40(36-19-7-2-8-20-36)32-43(31-39)49-45-25-13-15-27-47(45)50(48-28-16-14-26-46(48)49)44-33-41(37-21-9-3-10-22-37)30-42(34-44)38-23-11-4-12-24-38;1-2-16-33(17-3-1)45-41-22-8-10-24-43(41)46(44-25-11-9-23-42(44)45)36-29-34(39-26-12-18-31-14-4-6-20-37(31)39)28-35(30-36)40-27-13-19-32-15-5-7-21-38(32)40;1-2-12-31-26-32(25-20-27(31)10-1)40-37-17-7-5-15-35(37)39(36-16-6-8-18-38(36)40)30-23-21-29(22-24-30)34-19-9-13-28-11-3-4-14-33(28)34;1-2-11-27(12-3-1)35-31-14-6-8-16-33(31)36(34-17-9-7-15-32(34)35)28-21-18-26(19-22-28)30-23-20-25-10-4-5-13-29(25)24-30;1-3-15-25-23(11-1)13-9-21-27(25)33-29-17-5-7-19-31(29)34(32-20-8-6-18-30(32)33)28-22-10-14-24-12-2-4-16-26(24)28;1-2-11-22(12-3-1)29-25-14-6-8-16-27(25)30(28-17-9-7-15-26(28)29)24-19-18-21-10-4-5-13-23(21)20-24/h1-34H;1-30H;1-26H;1-24H;1-22H;1-20H |
| InChIKey | RBOQHJTXDKQILP-UHFFFAOYSA-N |
| XLogP | 66.52 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 20 |
| Heavy Atoms | 236 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2991.84 |
| LogP ≤ 5 | 66.52 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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