C156H102 — CID 159156782
9-naphthalen-1-yl-2,6-diphenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)-2,6-diphenylanthracene;1,5,9-trinaphthalen-1-yl-10-(3-phenylphenyl)anthracene (PubChem CID 159156782) has the molecular formula C156H102 and a molecular weight of 1976.53 g/mol. Its IUPAC name is 9-naphthalen-1-yl-2,6-diphenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)-2,6-diphenylanthracene;1,5,9-trinaphthalen-1-yl-10-(3-phenylphenyl)anthracene.
| Compound Name | 9-naphthalen-1-yl-2,6-diphenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)-2,6-diphenylanthracene;1,5,9-trinaphthalen-1-yl-10-(3-phenylphenyl)anthracene |
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| PubChem CID | 159156782 |
| Molecular Formula | C156H102 |
| Molecular Weight | 1976.53 g/mol |
| Exact Mass | 1974.80 |
| IUPAC Name | 9-naphthalen-1-yl-2,6-diphenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)-2,6-diphenylanthracene;1,5,9-trinaphthalen-1-yl-10-(3-phenylphenyl)anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4cc(-c5ccccc5)ccc4c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc4c(-c4cccc(-c5cccc6ccccc56)c4)c3c2)cc1.c1ccc(-c2cccc(-c3c4cccc(-c5cccc6ccccc56)c4c(-c4cccc5ccccc45)c4cccc(-c5cccc6ccccc56)c34)c2)cc1 |
| InChI | InChI=1S/C56H36.C52H34.C48H32/c1-2-16-37(17-3-1)41-24-10-25-42(36-41)53-51-34-14-33-50(47-30-12-22-39-19-5-8-27-44(39)47)56(51)55(48-31-13-23-40-20-6-9-28-45(40)48)52-35-15-32-49(54(52)53)46-29-11-21-38-18-4-7-26-43(38)46;1-3-14-35(15-4-1)39-29-31-48-49(33-39)51(42-23-11-22-41(32-42)45-26-12-20-37-18-7-9-24-43(37)45)47-30-28-40(36-16-5-2-6-17-36)34-50(47)52(48)46-27-13-21-38-19-8-10-25-44(38)46;1-4-13-33(14-5-1)36-23-25-38(26-24-36)47-43-29-27-40(35-17-8-3-9-18-35)32-46(43)48(42-22-12-20-37-19-10-11-21-41(37)42)44-30-28-39(31-45(44)47)34-15-6-2-7-16-34/h1-36H;1-34H;1-32H |
| InChIKey | KJZLAWVZKFVOIC-UHFFFAOYSA-N |
| XLogP | 43.90 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 156 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1976.53 |
| LogP ≤ 5 | 43.90 |
| 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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