C216H144 — CID 165020657
9-(2-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene (PubChem CID 165020657) has the molecular formula C216H144 and a molecular weight of 2739.53 g/mol. Its IUPAC name is 9-(2-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene.
| Compound Name | 9-(2-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene |
|---|---|
| PubChem CID | 165020657 |
| Molecular Formula | C216H144 |
| Molecular Weight | 2739.53 g/mol |
| Exact Mass | 2737.13 |
| IUPAC Name | 9-(2-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(3-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3ccc(-c4ccc5ccccc5c4)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccc(-c4cccc5ccccc45)cc3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4ccc5ccccc5c4)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3cccc4ccccc34)c3ccccc23)cc1 |
| InChI | InChI=1S/6C36H24/c1-2-13-26(14-3-1)35-31-19-6-8-21-33(31)36(34-22-9-7-20-32(34)35)28-17-10-16-27(24-28)30-23-11-15-25-12-4-5-18-29(25)30;1-2-12-27(13-3-1)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)28-23-21-26(22-24-28)30-20-10-14-25-11-4-5-15-29(25)30;1-2-12-26(13-3-1)35-31-17-6-8-19-33(31)36(34-20-9-7-18-32(34)35)30-16-10-15-28(24-30)29-22-21-25-11-4-5-14-27(25)23-29;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;1-2-14-26(15-3-1)35-31-20-8-10-22-33(31)36(34-23-11-9-21-32(34)35)30-19-7-6-18-29(30)28-24-12-16-25-13-4-5-17-27(25)28;1-2-13-26(14-3-1)35-31-18-8-10-20-33(31)36(34-21-11-9-19-32(34)35)30-17-7-6-16-29(30)28-23-22-25-12-4-5-15-27(25)24-28/h6*1-24H |
| InChIKey | LCJGTKWUQVADLR-UHFFFAOYSA-N |
| XLogP | 60.88 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 18 |
| Heavy Atoms | 216 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2739.53 |
| LogP ≤ 5 | 60.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
|---|