C263H174 — CID 159206127
10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene (PubChem CID 159206127) has the molecular formula C263H174 and a molecular weight of 3334.28 g/mol. Its IUPAC name is 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene.
| Compound Name | 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 159206127 |
| Molecular Formula | C263H174 |
| Molecular Weight | 3334.28 g/mol |
| Exact Mass | 3331.36 |
| IUPAC Name | 10-(9,9-dimethylfluoren-2-yl)-2-naphthalen-1-yl-9-phenylanthracene;2,10-dinaphthalen-1-yl-9-phenylanthracene;10-naphthalen-1-yl-2,9-diphenylanthracene;10-naphthalen-2-yl-2,9-diphenylanthracene;2-naphthalen-1-yl-10-naphthalen-2-yl-9-phenylanthracene;2-(10-phenanthren-9-ylanthracen-9-yl)-9,10-bis(4-phenylphenyl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccccc4)c4cc(-c5cccc6ccccc56)ccc34)cc21.c1ccc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccc(-c4cccc5ccccc45)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4cccc5ccccc45)cc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5c6ccccc6c(-c6cc7ccccc7c7ccccc67)c6ccccc56)ccc34)cc2)cc1.c1ccc(-c2ccc3c(-c4ccc5ccccc5c4)c4ccccc4c(-c4ccccc4)c3c2)cc1.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4ccccc4)c3c2)cc1 |
| InChI | InChI=1S/C66H42.C45H32.2C40H26.2C36H24/c1-3-17-43(18-4-1)45-31-35-47(36-32-45)63-54-25-11-12-26-55(54)64(48-37-33-46(34-38-48)44-19-5-2-6-20-44)62-42-50(39-40-60(62)63)65-56-27-13-15-29-58(56)66(59-30-16-14-28-57(59)65)61-41-49-21-7-8-22-51(49)52-23-9-10-24-53(52)61;1-45(2)41-22-11-10-18-35(41)36-25-24-32(28-42(36)45)44-38-20-9-8-19-37(38)43(30-14-4-3-5-15-30)40-27-31(23-26-39(40)44)34-21-12-16-29-13-6-7-17-33(29)34;1-2-14-29(15-3-1)39-35-20-8-9-21-36(35)40(34-23-11-17-28-13-5-7-19-32(28)34)37-25-24-30(26-38(37)39)33-22-10-16-27-12-4-6-18-31(27)33;1-2-13-29(14-3-1)39-35-18-8-9-19-36(35)40(32-22-21-27-11-4-5-15-30(27)25-32)37-24-23-31(26-38(37)39)34-20-10-16-28-12-6-7-17-33(28)34;1-3-12-25(13-4-1)28-22-23-33-34(24-28)35(27-15-5-2-6-16-27)31-19-9-10-20-32(31)36(33)30-21-11-17-26-14-7-8-18-29(26)30;1-3-11-25(12-4-1)29-21-22-33-34(24-29)35(27-14-5-2-6-15-27)31-17-9-10-18-32(31)36(33)30-20-19-26-13-7-8-16-28(26)23-30/h1-42H;3-28H,1-2H3;2*1-26H;2*1-24H |
| InChIKey | KPXGVMYUDXQZFI-UHFFFAOYSA-N |
| XLogP | 73.96 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 21 |
| Heavy Atoms | 263 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3334.28 |
| LogP ≤ 5 | 73.96 |
| 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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