C214H136 — CID 158522790
2,9-dinaphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(3,5-dinaphthalen-1-ylphenyl)-2,10-dinaphthalen-2-ylanthracene (PubChem CID 158522790) has the molecular formula C214H136 and a molecular weight of 2707.44 g/mol. Its IUPAC name is 2,9-dinaphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(3,5-dinaphthalen-1-ylphenyl)-2,10-dinaphthalen-2-ylanthracene.
| Compound Name | 2,9-dinaphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(3,5-dinaphthalen-1-ylphenyl)-2,10-dinaphthalen-2-ylanthracene |
|---|---|
| PubChem CID | 158522790 |
| Molecular Formula | C214H136 |
| Molecular Weight | 2707.44 g/mol |
| Exact Mass | 2705.06 |
| IUPAC Name | 2,9-dinaphthalen-2-yl-10-(4-naphthalen-1-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-naphthalen-2-ylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenanthren-9-ylphenyl)anthracene;9-(3,5-dinaphthalen-1-ylphenyl)-2,10-dinaphthalen-2-ylanthracene |
| SMILES | c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5cc(-c6ccc7ccccc7c6)ccc45)cc3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5ccc(-c6cccc7ccccc67)cc5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1.c1ccc2cc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5cc(-c6cccc7ccccc67)cc(-c6cccc7ccccc67)c5)c4c3)ccc2c1 |
| InChI | InChI=1S/C60H38.C54H34.2C50H32/c1-3-17-43-33-45(29-27-39(43)13-1)46-31-32-57-58(38-46)60(56-24-10-9-23-55(56)59(57)47-30-28-40-14-2-4-18-44(40)34-47)50-36-48(53-25-11-19-41-15-5-7-21-51(41)53)35-49(37-50)54-26-12-20-42-16-6-8-22-52(42)54;1-3-13-39-31-41(27-21-35(39)11-1)42-29-30-50-52(33-42)54(44-28-22-36-12-2-4-14-40(36)32-44)49-20-10-9-19-48(49)53(50)38-25-23-37(24-26-38)51-34-43-15-5-6-16-45(43)46-17-7-8-18-47(46)51;1-4-12-38-29-41(24-19-33(38)9-1)36-17-22-37(23-18-36)49-45-15-7-8-16-46(45)50(44-26-21-35-11-3-6-14-40(35)31-44)48-32-43(27-28-47(48)49)42-25-20-34-10-2-5-13-39(34)30-42;1-3-13-38-30-40(26-20-33(38)10-1)41-28-29-47-48(32-41)50(42-27-21-34-11-2-4-14-39(34)31-42)46-18-8-7-17-45(46)49(47)37-24-22-36(23-25-37)44-19-9-15-35-12-5-6-16-43(35)44/h1-38H;1-34H;2*1-32H |
| InChIKey | HMKNXSMKJAXRDZ-UHFFFAOYSA-N |
| XLogP | 60.46 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 214 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2707.44 |
| LogP ≤ 5 | 60.46 |
| 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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