C208H132 — CID 161364950
2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene (PubChem CID 161364950) has the molecular formula C208H132 and a molecular weight of 2631.34 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene.
| Compound Name | 2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 161364950 |
| Molecular Formula | C208H132 |
| Molecular Weight | 2631.34 g/mol |
| Exact Mass | 2629.03 |
| IUPAC Name | 2-naphthalen-1-yl-9-(2-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-9-(3-naphthalen-1-ylphenyl)-10-phenanthren-9-ylanthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(3-phenylphenyl)anthracene;2-naphthalen-1-yl-10-phenanthren-9-yl-9-(4-phenylphenyl)anthracene |
| SMILES | c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4cccc5ccccc45)cc23)c1.c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccc(-c4cccc5ccccc45)cc23)c(-c2cccc3ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)cc2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)c2)cc1 |
| InChI | InChI=1S/2C54H34.2C50H32/c1-4-21-41-35(14-1)17-12-28-43(41)37-19-11-20-40(32-37)53-48-26-9-10-27-49(48)54(51-33-38-16-3-6-23-45(38)46-24-7-8-25-47(46)51)50-31-30-39(34-52(50)53)44-29-13-18-36-15-2-5-22-42(36)44;1-4-20-39-35(15-1)18-13-29-41(39)38-31-32-50-52(34-38)53(47-26-10-9-24-45(47)44-30-14-19-36-16-2-5-21-40(36)44)48-27-11-12-28-49(48)54(50)51-33-37-17-3-6-22-42(37)43-23-7-8-25-46(43)51;1-2-14-33(15-3-1)35-19-12-20-38(30-35)49-44-25-10-11-26-45(44)50(47-31-36-17-5-7-22-41(36)42-23-8-9-24-43(42)47)46-29-28-37(32-48(46)49)40-27-13-18-34-16-4-6-21-39(34)40;1-2-13-33(14-3-1)34-25-27-36(28-26-34)49-44-22-10-11-23-45(44)50(47-31-37-16-5-7-19-41(37)42-20-8-9-21-43(42)47)46-30-29-38(32-48(46)49)40-24-12-17-35-15-4-6-18-39(35)40/h2*1-34H;2*1-32H |
| InChIKey | VPROMJOBGCCYND-UHFFFAOYSA-N |
| XLogP | 58.79 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 16 |
| Heavy Atoms | 208 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2631.34 |
| LogP ≤ 5 | 58.79 |
| 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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