C202H128 — CID 159987289
2-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)triphenylene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene (PubChem CID 159987289) has the molecular formula C202H128 and a molecular weight of 2555.25 g/mol. Its IUPAC name is 2-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)triphenylene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene.
| Compound Name | 2-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)triphenylene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 159987289 |
| Molecular Formula | C202H128 |
| Molecular Weight | 2555.25 g/mol |
| Exact Mass | 2553.00 |
| IUPAC Name | 2-(3-naphthalen-1-yl-10-naphthalen-2-ylanthracen-9-yl)triphenylene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(4-naphthalen-1-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(2-phenanthren-9-ylphenyl)anthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-(3-phenylphenyl)anthracene |
| SMILES | c1ccc(-c2cc3ccccc3c3ccccc23)c(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccc(-c4cccc5ccccc45)cc23)c1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccc(-c5cccc6ccccc56)cc34)c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(-c5cccc6ccccc56)ccc34)ccc2c1.c1ccc2cc(-c3c4ccccc4c(-c4ccc5c6ccccc6c6ccccc6c5c4)c4ccc(-c5cccc6ccccc56)cc34)ccc2c1 |
| InChI | InChI=1S/C54H34.C52H32.C50H32.C46H30/c1-2-16-37-32-40(29-28-35(37)14-1)53-48-25-11-12-26-49(48)54(52-34-39(30-31-50(52)53)42-27-13-18-36-15-3-5-19-41(36)42)47-24-10-9-23-46(47)51-33-38-17-4-6-20-43(38)44-21-7-8-22-45(44)51;1-2-14-35-30-37(25-24-33(35)12-1)52-47-22-10-9-21-46(47)51(48-29-26-36(31-50(48)52)40-23-11-15-34-13-3-4-16-39(34)40)38-27-28-45-43-19-6-5-17-41(43)42-18-7-8-20-44(42)49(45)32-38;1-2-14-38-31-40(28-23-33(38)11-1)50-46-20-8-7-19-45(46)49(37-26-24-36(25-27-37)43-21-9-15-34-12-3-5-17-41(34)43)48-32-39(29-30-47(48)50)44-22-10-16-35-13-4-6-18-42(35)44;1-2-12-31(13-3-1)35-18-10-19-37(28-35)46-42-22-9-8-21-41(42)45(38-25-24-32-14-4-5-16-34(32)29-38)43-27-26-36(30-44(43)46)40-23-11-17-33-15-6-7-20-39(33)40/h1-34H;1-32H;1-32H;1-30H |
| InChIKey | OGMNUDIULGWSOH-UHFFFAOYSA-N |
| XLogP | 57.12 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 202 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2555.25 |
| LogP ≤ 5 | 57.12 |
| 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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