C208H134 — CID 165110015
9-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-3-ylphenyl)anthracene (PubChem CID 165110015) has the molecular formula C208H134 and a molecular weight of 2633.36 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-3-ylphenyl)anthracene.
| Compound Name | 9-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-3-ylphenyl)anthracene |
|---|---|
| PubChem CID | 165110015 |
| Molecular Formula | C208H134 |
| Molecular Weight | 2633.36 g/mol |
| Exact Mass | 2631.05 |
| IUPAC Name | 9-naphthalen-2-yl-10-(2-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(4-phenanthren-3-ylphenyl)anthracene |
| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c(-c2ccc3ccccc3c2)c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccc7ccccc7c6c5)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6c5ccc5ccccc56)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/2C44H28.3C40H26/c1-2-12-33-28-34(25-20-29(33)10-1)44-41-16-7-5-14-39(41)43(40-15-6-8-17-42(40)44)32-23-21-31(22-24-32)36-18-9-19-37-35-13-4-3-11-30(35)26-27-38(36)37;1-2-11-34-27-36(26-19-29(34)9-1)44-40-15-7-5-13-38(40)43(39-14-6-8-16-41(39)44)33-23-17-30(18-24-33)35-25-22-32-21-20-31-10-3-4-12-37(31)42(32)28-35;1-3-12-29-24-32(22-20-27(29)10-1)31-14-9-15-33(26-31)39-35-16-5-7-18-37(35)40(38-19-8-6-17-36(38)39)34-23-21-28-11-2-4-13-30(28)25-34;1-3-11-31-25-33(23-19-27(31)9-1)29-17-21-30(22-18-29)39-35-13-5-7-15-37(35)40(38-16-8-6-14-36(38)39)34-24-20-28-10-2-4-12-32(28)26-34;1-3-13-29-25-31(23-21-27(29)11-1)33-15-5-6-16-34(33)40-37-19-9-7-17-35(37)39(36-18-8-10-20-38(36)40)32-24-22-28-12-2-4-14-30(28)26-32/h2*1-28H;3*1-26H |
| InChIKey | ZUEKGOJMFALTLN-UHFFFAOYSA-N |
| XLogP | 58.81 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2633.36 |
| LogP ≤ 5 | 58.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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