C198H132 — CID 160897071
9,10-diphenylanthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 160897071) has the molecular formula C198H132 and a molecular weight of 2511.23 g/mol. Its IUPAC name is 9,10-diphenylanthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene.
| Compound Name | 9,10-diphenylanthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene |
|---|---|
| PubChem CID | 160897071 |
| Molecular Formula | C198H132 |
| Molecular Weight | 2511.23 g/mol |
| Exact Mass | 2509.03 |
| IUPAC Name | 9,10-diphenylanthracene;9-(4-naphthalen-1-ylnaphthalen-1-yl)-10-phenylanthracene;9-naphthalen-1-yl-10-phenylanthracene;9-naphthalen-2-yl-10-phenylanthracene;9-phenyl-10-(3-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(4-phenylnaphthalen-1-yl)anthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc3c2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/C40H26.2C36H24.2C30H20.C26H18/c1-2-14-28(15-3-1)39-34-20-8-10-22-36(34)40(37-23-11-9-21-35(37)39)38-26-25-33(31-18-6-7-19-32(31)38)30-24-12-16-27-13-4-5-17-29(27)30;1-3-13-25(14-4-1)28-23-27-17-7-8-18-29(27)34(24-28)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36;1-3-13-25(14-4-1)27-23-24-34(29-18-8-7-17-28(27)29)36-32-21-11-9-19-30(32)35(26-15-5-2-6-16-26)31-20-10-12-22-33(31)36;1-2-12-22(13-3-1)29-25-16-6-8-18-27(25)30(28-19-9-7-17-26(28)29)24-20-10-14-21-11-4-5-15-23(21)24;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;1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-26H;2*1-24H;2*1-20H;1-18H |
| InChIKey | SPACQBOMUIKFSM-UHFFFAOYSA-N |
| XLogP | 55.88 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 198 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2511.23 |
| LogP ≤ 5 | 55.88 |
| 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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