C154H102 — CID 165002547
9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene (PubChem CID 165002547) has the molecular formula C154H102 and a molecular weight of 1952.51 g/mol. Its IUPAC name is 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene.
| Compound Name | 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-naphthalen-2-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-1-ylphenyl)-10-phenylanthracene;9-(4-naphthalen-2-ylphenyl)-10-phenylanthracene |
|---|---|
| PubChem CID | 165002547 |
| Molecular Formula | C154H102 |
| Molecular Weight | 1952.51 g/mol |
| Exact Mass | 1950.80 |
| IUPAC Name | 9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;9-(2-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(-c3cccc4cc(-c5cccc(-c6ccc7ccccc7c6)c5)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3-c3ccc4ccccc4c3)c3ccccc23)cc1 |
| InChI | InChI=1S/C46H30.3C36H24/c1-2-13-32(14-3-1)45-41-19-6-8-21-43(41)46(44-22-9-7-20-42(44)45)40-23-11-18-38-30-37(26-27-39(38)40)35-17-10-16-34(29-35)36-25-24-31-12-4-5-15-33(31)28-36;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;1-2-11-27(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;1-2-13-26(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/h1-30H;3*1-24H |
| InChIKey | ILUFEEQNPXOENP-UHFFFAOYSA-N |
| XLogP | 43.41 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 13 |
| Heavy Atoms | 154 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1952.51 |
| LogP ≤ 5 | 43.41 |
| 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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