C156H104 — CID 161008408
9-(3,4-diphenylnaphthalen-1-yl)-10-phenylanthracene;9-(4,6-diphenylnaphthalen-1-yl)-10-phenylanthracene;9-phenyl-10-(7-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(8-phenylnaphthalen-1-yl)anthracene (PubChem CID 161008408) has the molecular formula C156H104 and a molecular weight of 1978.55 g/mol. Its IUPAC name is 9-(3,4-diphenylnaphthalen-1-yl)-10-phenylanthracene;9-(4,6-diphenylnaphthalen-1-yl)-10-phenylanthracene;9-phenyl-10-(7-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(8-phenylnaphthalen-1-yl)anthracene.
| Compound Name | 9-(3,4-diphenylnaphthalen-1-yl)-10-phenylanthracene;9-(4,6-diphenylnaphthalen-1-yl)-10-phenylanthracene;9-phenyl-10-(7-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(8-phenylnaphthalen-1-yl)anthracene |
|---|---|
| PubChem CID | 161008408 |
| Molecular Formula | C156H104 |
| Molecular Weight | 1978.55 g/mol |
| Exact Mass | 1976.81 |
| IUPAC Name | 9-(3,4-diphenylnaphthalen-1-yl)-10-phenylanthracene;9-(4,6-diphenylnaphthalen-1-yl)-10-phenylanthracene;9-phenyl-10-(7-phenylnaphthalen-1-yl)anthracene;9-phenyl-10-(8-phenylnaphthalen-1-yl)anthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cccc4cccc(-c5ccccc5)c34)c3ccccc23)cc1.c1ccc(-c2cc(-c3c4ccccc4c(-c4ccccc4)c4ccccc34)c3ccccc3c2-c2ccccc2)cc1.c1ccc(-c2ccc3c(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)ccc(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3cccc(-c4c5ccccc5c(-c5ccccc5)c5ccccc45)c3c2)cc1 |
| InChI | InChI=1S/2C42H28.2C36H24/c1-4-14-29(15-5-1)32-24-25-34-39(27-26-33(40(34)28-32)30-16-6-2-7-17-30)42-37-22-12-10-20-35(37)41(31-18-8-3-9-19-31)36-21-11-13-23-38(36)42;1-4-16-29(17-5-1)38-28-39(32-22-10-11-23-33(32)41(38)31-20-8-3-9-21-31)42-36-26-14-12-24-34(36)40(30-18-6-2-7-19-30)35-25-13-15-27-37(35)42;1-3-13-25(14-4-1)28-23-11-17-27-18-12-24-33(34(27)28)36-31-21-9-7-19-29(31)35(26-15-5-2-6-16-26)30-20-8-10-22-32(30)36;1-3-12-25(13-4-1)28-23-22-26-16-11-21-33(34(26)24-28)36-31-19-9-7-17-29(31)35(27-14-5-2-6-15-27)30-18-8-10-20-32(30)36/h2*1-28H;2*1-24H |
| InChIKey | TWURKMGNJUUCKP-UHFFFAOYSA-N |
| XLogP | 43.92 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 14 |
| Heavy Atoms | 156 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1978.55 |
| LogP ≤ 5 | 43.92 |
| 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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