C128H84 — CID 159702993
9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene (PubChem CID 159702993) has the molecular formula C128H84 and a molecular weight of 1622.08 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene.
| Compound Name | 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene |
|---|---|
| PubChem CID | 159702993 |
| Molecular Formula | C128H84 |
| Molecular Weight | 1622.08 g/mol |
| Exact Mass | 1620.66 |
| IUPAC Name | 9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-[4-(3-naphthalen-2-ylphenyl)phenyl]anthracene;9-naphthalen-1-yl-10-[4-(3-phenylphenyl)phenyl]anthracene |
| SMILES | c1cc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc(-c2ccc3ccccc3c2)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2cccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)c2)cc1 |
| InChI | InChI=1S/C46H30.C42H28.C40H26/c1-2-13-35-30-38(28-25-31(35)11-1)37-16-9-15-36(29-37)32-23-26-34(27-24-32)45-41-18-5-7-20-43(41)46(44-21-8-6-19-42(44)45)40-22-10-14-33-12-3-4-17-39(33)40;1-2-12-29(13-3-1)33-16-10-17-34(28-33)30-24-26-32(27-25-30)41-37-19-6-8-21-39(37)42(40-22-9-7-20-38(40)41)36-23-11-15-31-14-4-5-18-35(31)36;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34/h1-30H;1-28H;1-26H |
| InChIKey | MXWAZTLYBPLFKX-UHFFFAOYSA-N |
| XLogP | 36.08 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 11 |
| Heavy Atoms | 128 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1622.08 |
| LogP ≤ 5 | 36.08 |
| 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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