C277H186 — CID 158706216
2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene (PubChem CID 158706216) has the molecular formula C277H186 and a molecular weight of 3519.57 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene.
| Compound Name | 2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene |
|---|---|
| PubChem CID | 158706216 |
| Molecular Formula | C277H186 |
| Molecular Weight | 3519.57 g/mol |
| Exact Mass | 3516.49 |
| IUPAC Name | 2-(9,9-dimethylfluoren-2-yl)-10-naphthalen-1-yl-9-naphthalen-2-ylanthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(4-naphthalen-1-ylphenyl)anthracene;10-(9,9-dimethylfluoren-2-yl)-9-naphthalen-1-yl-2-(2,3,4,5,6-pentadeuteriophenyl)anthracene;2,10-dinaphthalen-1-yl-9-naphthalen-2-ylanthracene;10-naphthalen-1-yl-2,9-dinaphthalen-2-ylanthracene;10-naphthalen-1-yl-9-naphthalen-2-yl-2-phenylanthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccc(-c6cccc7ccccc67)cc5)ccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc21.[2H]c1c([2H])c([2H])c(-c2ccc3c(-c4ccc5c(c4)C(C)(C)c4ccccc4-5)c4ccccc4c(-c4cccc5ccccc45)c3c2)c([2H])c1[2H].c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccc5ccccc5c4)c3c2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccc(-c5cccc6ccccc56)cc34)ccc2c1.c1ccc2cc(-c3ccc4c(-c5cccc6ccccc56)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)ccc2c1 |
| InChI | InChI=1S/C55H38.C49H34.C45H32.2C44H28.C40H26/c1-55(2)51-24-10-9-19-44(51)45-31-30-40(34-52(45)55)53-47-20-7-8-21-48(47)54(46-23-12-16-37-14-4-6-18-43(37)46)50-33-39(29-32-49(50)53)35-25-27-38(28-26-35)42-22-11-15-36-13-3-5-17-41(36)42;1-49(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;1-45(2)41-22-11-10-18-34(41)35-25-24-32(28-42(35)45)43-37-19-8-9-20-38(37)44(36-21-12-16-30-15-6-7-17-33(30)36)40-27-31(23-26-39(40)43)29-13-4-3-5-14-29;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;1-2-14-32-27-34(24-23-29(32)11-1)43-39-19-7-8-20-40(39)44(38-22-10-16-31-13-4-6-18-36(31)38)41-26-25-33(28-42(41)43)37-21-9-15-30-12-3-5-17-35(30)37;1-2-11-27(12-3-1)31-23-24-37-38(26-31)39(32-22-21-28-13-4-5-15-30(28)25-32)35-18-8-9-19-36(35)40(37)34-20-10-16-29-14-6-7-17-33(29)34/h3-34H,1-2H3;3-30H,1-2H3;3-28H,1-2H3;2*1-28H;1-26H/i;;3D,4D,5D,13D,14D;;; |
| InChIKey | IIDLIWHFBLJALW-JPTXFSRLSA-N |
| XLogP | 77.54 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 19 |
| Heavy Atoms | 277 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3519.57 |
| LogP ≤ 5 | 77.54 |
| 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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