C300H192 — CID 160861379
9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene);bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene) (PubChem CID 160861379) has the molecular formula C300H192 and a molecular weight of 3796.84 g/mol. Its IUPAC name is 9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene);bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene).
| Compound Name | 9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene);bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene) |
|---|---|
| PubChem CID | 160861379 |
| Molecular Formula | C300H192 |
| Molecular Weight | 3796.84 g/mol |
| Exact Mass | 3793.50 |
| IUPAC Name | 9-naphthalen-2-yl-10-(3-naphthalen-1-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(3-phenanthren-9-ylphenyl)anthracene;bis(9-naphthalen-1-yl-10-(4-phenanthren-9-ylphenyl)anthracene);bis(9-naphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene) |
| SMILES | c1cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)cc(-c2cc3ccccc3c3ccccc23)c1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)cccc2c1.c1ccc2c(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)cccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/5C44H28.2C40H26/c1-3-18-33-29(13-1)15-12-26-37(33)44-40-24-9-7-22-38(40)43(39-23-8-10-25-41(39)44)32-17-11-16-30(27-32)42-28-31-14-2-4-19-34(31)35-20-5-6-21-36(35)42;2*1-3-15-33-29(12-1)14-11-23-37(33)44-40-21-9-7-19-38(40)43(39-20-8-10-22-41(39)44)31-26-24-30(25-27-31)42-28-32-13-2-4-16-34(32)35-17-5-6-18-36(35)42;2*1-2-12-32-27-34(26-21-29(32)11-1)44-40-19-9-7-17-38(40)43(39-18-8-10-20-41(39)44)31-24-22-30(23-25-31)42-28-33-13-3-4-14-35(33)36-15-5-6-16-37(36)42;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;1-2-13-29-25-32(24-23-27(29)11-1)40-37-20-7-5-18-35(37)39(36-19-6-8-21-38(36)40)31-16-9-15-30(26-31)34-22-10-14-28-12-3-4-17-33(28)34/h5*1-28H;2*1-26H |
| InChIKey | SKNNVGRHWUXJJS-UHFFFAOYSA-N |
| XLogP | 84.87 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 21 |
| Heavy Atoms | 300 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3796.84 |
| LogP ≤ 5 | 84.87 |
| 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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