C293H198 — CID 159535482
10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(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 (PubChem CID 159535482) has the molecular formula C293H198 and a molecular weight of 3718.81 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(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.
| Compound Name | 10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(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 |
|---|---|
| PubChem CID | 159535482 |
| Molecular Formula | C293H198 |
| Molecular Weight | 3718.81 g/mol |
| Exact Mass | 3715.55 |
| IUPAC Name | 10-(9,9-dimethylfluoren-2-yl)-2,9-dinaphthalen-1-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(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 |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6ccccc6)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc6ccccc6c5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5cccc6ccccc56)ccc34)cc21.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5cc6ccccc6c6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccc6ccccc6c5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccc4c(-c5ccc(-c6ccccc6)cc5)c5ccccc5c(-c5cccc6ccccc56)c4c3)cc2)cc1 |
| InChI | InChI=1S/C51H36.C50H32.2C49H34.C48H32.C46H30/c1-51(2)47-22-11-10-18-40(47)41-29-28-38(32-48(41)51)49-43-19-8-9-20-44(43)50(42-21-12-16-36-15-6-7-17-39(36)42)46-31-37(27-30-45(46)49)35-25-23-34(24-26-35)33-13-4-3-5-14-33;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;1-49(2)45-24-10-9-19-38(45)39-27-26-34(30-46(39)49)47-41-20-7-8-21-42(41)48(40-23-12-16-32-14-4-6-18-36(32)40)44-29-33(25-28-43(44)47)37-22-11-15-31-13-3-5-17-35(31)37;1-49(2)45-21-10-9-17-38(45)39-26-25-36(30-46(39)49)47-41-18-7-8-19-42(41)48(40-20-11-15-32-13-5-6-16-37(32)40)44-29-35(24-27-43(44)47)34-23-22-31-12-3-4-14-33(31)28-34;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;1-2-10-31(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/h3-32H,1-2H3;1-32H;2*3-30H,1-2H3;1-32H;1-30H |
| InChIKey | MDNKEUMEDATELB-UHFFFAOYSA-N |
| XLogP | 81.90 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 23 |
| Heavy Atoms | 293 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3718.81 |
| LogP ≤ 5 | 81.90 |
| 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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