C204H134 — CID 158532472
9-(3,5-dinaphthalen-2-ylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene (PubChem CID 158532472) has the molecular formula C204H134 and a molecular weight of 2585.32 g/mol. Its IUPAC name is 9-(3,5-dinaphthalen-2-ylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene.
| Compound Name | 9-(3,5-dinaphthalen-2-ylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene |
|---|---|
| PubChem CID | 158532472 |
| Molecular Formula | C204H134 |
| Molecular Weight | 2585.32 g/mol |
| Exact Mass | 2583.05 |
| IUPAC Name | 9-(3,5-dinaphthalen-2-ylphenyl)-10-naphthalen-2-ylanthracene;9-naphthalen-1-yl-10-(4-naphthalen-1-ylphenyl)anthracene;9-naphthalen-1-yl-10-(2-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-[2-(4-phenylphenyl)phenyl]anthracene |
| SMILES | c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc1.c1ccc2c(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cccc2c1.c1ccc2cc(-c3cc(-c4ccc5ccccc5c4)cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c3)ccc2c1 |
| InChI | InChI=1S/C50H32.C42H28.C40H26.2C36H24/c1-4-14-36-27-39(24-21-33(36)11-1)42-30-43(40-25-22-34-12-2-5-15-37(34)28-40)32-44(31-42)50-47-19-9-7-17-45(47)49(46-18-8-10-20-48(46)50)41-26-23-35-13-3-6-16-38(35)29-41;1-2-13-29(14-3-1)30-25-27-32(28-26-30)34-18-6-7-19-35(34)41-37-20-8-10-22-39(37)42(40-23-11-9-21-38(40)41)36-24-12-16-31-15-4-5-17-33(31)36;1-3-15-31-27(11-1)13-9-21-32(31)29-23-25-30(26-24-29)39-35-17-5-7-19-37(35)40(38-20-8-6-18-36(38)39)34-22-10-14-28-12-2-4-16-33(28)34;1-2-12-25(13-3-1)27-16-10-17-28(24-27)35-31-19-6-8-21-33(31)36(34-22-9-7-20-32(34)35)30-23-11-15-26-14-4-5-18-29(26)30;1-2-13-25(14-3-1)27-18-6-7-19-29(27)35-31-20-8-10-22-33(31)36(34-23-11-9-21-32(34)35)30-24-12-16-26-15-4-5-17-28(26)30/h1-32H;1-28H;1-26H;2*1-24H |
| InChIKey | HNNPLNFYCDSPNE-UHFFFAOYSA-N |
| XLogP | 57.53 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 204 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2585.32 |
| LogP ≤ 5 | 57.53 |
| 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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