C212H145N — CID 160829981
9-(9,9-dimethylfluoren-2-yl)-10-phenanthren-9-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;3-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene (PubChem CID 160829981) has the molecular formula C212H145N and a molecular weight of 2706.50 g/mol. Its IUPAC name is 9-(9,9-dimethylfluoren-2-yl)-10-phenanthren-9-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;3-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene.
| Compound Name | 9-(9,9-dimethylfluoren-2-yl)-10-phenanthren-9-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;3-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene |
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| PubChem CID | 160829981 |
| Molecular Formula | C212H145N |
| Molecular Weight | 2706.50 g/mol |
| Exact Mass | 2704.14 |
| IUPAC Name | 9-(9,9-dimethylfluoren-2-yl)-10-phenanthren-9-ylanthracene;9-[3-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;9-[4-(9,9-dimethylfluoren-2-yl)phenyl]-10-naphthalen-1-ylanthracene;3-[3-(10-naphthalen-1-ylanthracen-9-yl)naphthalen-2-yl]pyridine;9-naphthalen-1-yl-10-(3-naphthalen-1-ylphenyl)anthracene |
| SMILES | CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)c3)cc21.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1cncc(-c2cc3ccccc3cc2-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1 |
| InChI | InChI=1S/2C45H32.C43H30.C40H26.C39H25N/c1-45(2)41-24-10-9-18-34(41)35-26-25-31(28-42(35)45)30-15-11-16-32(27-30)43-37-19-5-7-21-39(37)44(40-22-8-6-20-38(40)43)36-23-12-14-29-13-3-4-17-33(29)36;1-45(2)41-21-10-9-15-34(41)35-27-26-32(28-42(35)45)29-22-24-31(25-23-29)43-37-16-5-7-18-39(37)44(40-19-8-6-17-38(40)43)36-20-11-13-30-12-3-4-14-33(30)36;1-43(2)39-22-12-11-17-32(39)33-24-23-28(26-40(33)43)41-34-18-7-9-20-36(34)42(37-21-10-8-19-35(37)41)38-25-27-13-3-4-14-29(27)30-15-5-6-16-31(30)38;1-3-18-31-27(12-1)14-10-24-33(31)29-16-9-17-30(26-29)39-35-20-5-7-22-37(35)40(38-23-8-6-21-36(38)39)34-25-11-15-28-13-2-4-19-32(28)34;1-2-13-28-24-37(36(23-27(28)12-1)29-15-10-22-40-25-29)39-34-19-7-5-17-32(34)38(33-18-6-8-20-35(33)39)31-21-9-14-26-11-3-4-16-30(26)31/h2*3-28H,1-2H3;3-26H,1-2H3;1-26H;1-25H |
| InChIKey | SGRCQLLTTOWZDN-UHFFFAOYSA-N |
| XLogP | 58.84 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 213 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2706.50 |
| LogP ≤ 5 | 58.84 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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