C283H188 — CID 159460636
2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2,10-bis(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene (PubChem CID 159460636) has the molecular formula C283H188 and a molecular weight of 3588.62 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2,10-bis(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene.
| Compound Name | 2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2,10-bis(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 159460636 |
| Molecular Formula | C283H188 |
| Molecular Weight | 3588.62 g/mol |
| Exact Mass | 3585.47 |
| IUPAC Name | 2-(9,9-dimethylfluoren-2-yl)-9-naphthalen-2-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-1-yl-10-(4-phenylphenyl)anthracene;2,9-dinaphthalen-2-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2,10-bis(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenanthren-9-yl-10-(4-phenylphenyl)anthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)cc1 |
| InChI | InChI=1S/C51H36.C50H32.C48H32.2C46H30.C42H28/c1-51(2)47-19-11-10-16-41(47)42-28-26-39(32-48(42)51)38-27-29-45-46(31-38)50(40-25-22-34-14-6-7-15-37(34)30-40)44-18-9-8-17-43(44)49(45)36-23-20-35(21-24-36)33-12-4-3-5-13-33;1-2-12-33(13-3-1)35-22-25-36(26-23-35)49-44-20-10-11-21-45(44)50(40-27-24-34-14-4-5-15-37(34)30-40)48-32-39(28-29-46(48)49)47-31-38-16-6-7-17-41(38)42-18-8-9-19-43(42)47;1-3-12-33(13-4-1)35-22-24-37(25-23-35)40-30-31-45-46(32-40)48(42-21-11-17-38-16-7-8-18-41(38)42)44-20-10-9-19-43(44)47(45)39-28-26-36(27-29-39)34-14-5-2-6-15-34;1-2-12-31(13-3-1)32-24-26-35(27-25-32)45-41-20-8-9-21-42(41)46(40-23-11-17-34-15-5-7-19-38(34)40)44-30-36(28-29-43(44)45)39-22-10-16-33-14-4-6-18-37(33)39;1-2-10-31(11-3-1)34-18-22-35(23-19-34)45-41-16-8-9-17-42(41)46(40-25-21-33-13-5-7-15-37(33)29-40)44-30-39(26-27-43(44)45)38-24-20-32-12-4-6-14-36(32)28-38;1-3-12-29(13-4-1)31-22-24-33(25-23-31)41-37-19-9-10-20-38(37)42(36-21-11-17-32-16-7-8-18-35(32)36)40-28-34(26-27-39(40)41)30-14-5-2-6-15-30/h3-32H,1-2H3;1-32H;1-32H;2*1-30H;1-28H |
| InChIKey | LUNZLIDSTWPLBI-UHFFFAOYSA-N |
| XLogP | 79.47 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 25 |
| Heavy Atoms | 283 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3588.62 |
| LogP ≤ 5 | 79.47 |
| 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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