C183H122 — CID 160521969
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene (PubChem CID 160521969) has the molecular formula C183H122 and a molecular weight of 2320.99 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene.
| Compound Name | 2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 160521969 |
| Molecular Formula | C183H122 |
| Molecular Weight | 2320.99 g/mol |
| Exact Mass | 2318.95 |
| IUPAC Name | 2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;2-naphthalen-1-yl-9-phenyl-10-(4-phenylphenyl)anthracene;2-(4-naphthalen-2-ylphenyl)-9-phenyl-10-(4-phenylphenyl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cccc6ccccc56)ccc34)cc2)cc1.c1ccc2cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1 |
| InChI | InChI=1S/C49H34.C48H32.C44H28.C42H28/c1-49(2)45-21-10-9-17-38(45)39-26-24-35(30-46(39)49)34-25-27-43-44(29-34)47(36-23-22-31-12-3-4-14-33(31)28-36)41-18-7-8-19-42(41)48(43)40-20-11-15-32-13-5-6-16-37(32)40;1-3-11-33(12-4-1)35-23-26-39(27-24-35)47-43-17-9-10-18-44(43)48(38-14-5-2-6-15-38)46-32-42(29-30-45(46)47)37-21-19-36(20-22-37)41-28-25-34-13-7-8-16-40(34)31-41;1-3-13-32-26-34(22-20-29(32)10-1)35-24-25-41-42(28-35)43(36-23-21-30-11-2-4-14-33(30)27-36)39-17-7-8-18-40(39)44(41)38-19-9-15-31-12-5-6-16-37(31)38;1-3-12-29(13-4-1)30-22-24-33(25-23-30)41-37-19-9-10-20-38(37)42(32-15-5-2-6-16-32)40-28-34(26-27-39(40)41)36-21-11-17-31-14-7-8-18-35(31)36/h3-30H,1-2H3;1-32H;1-28H;1-28H |
| InChIKey | QUJVQGVSOMVTQM-UHFFFAOYSA-N |
| XLogP | 51.36 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 183 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2320.99 |
| LogP ≤ 5 | 51.36 |
| 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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