C185H120 — CID 161164910
9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene (PubChem CID 161164910) has the molecular formula C185H120 and a molecular weight of 2342.99 g/mol. Its IUPAC name is 9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene.
| Compound Name | 9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene |
|---|---|
| PubChem CID | 161164910 |
| Molecular Formula | C185H120 |
| Molecular Weight | 2342.99 g/mol |
| Exact Mass | 2340.94 |
| IUPAC Name | 9-(9,9-diphenylfluoren-2-yl)-10-naphthalen-2-ylanthracene;9-(4-naphthalen-1-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-(4-naphthalen-2-ylphenyl)-10-(4-phenylnaphthalen-1-yl)anthracene;9-phenanthren-9-yl-10-(4-phenylnaphthalen-1-yl)anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4cc5ccccc5c5ccccc45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)c3ccccc23)cc1.c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)cc32)cc1 |
| InChI | InChI=1S/C49H32.2C46H30.C44H28/c1-3-17-37(18-4-1)49(38-19-5-2-6-20-38)45-26-14-13-21-39(45)40-30-29-36(32-46(40)49)48-43-24-11-9-22-41(43)47(42-23-10-12-25-44(42)48)35-28-27-33-15-7-8-16-34(33)31-35;1-2-13-31(14-3-1)37-29-30-44(39-19-7-6-18-38(37)39)46-42-22-10-8-20-40(42)45(41-21-9-11-23-43(41)46)34-27-25-33(26-28-34)36-24-12-16-32-15-4-5-17-35(32)36;1-2-13-33(14-3-1)37-28-29-44(39-17-7-6-16-38(37)39)46-42-20-10-8-18-40(42)45(41-19-9-11-21-43(41)46)34-25-22-32(23-26-34)36-27-24-31-12-4-5-15-35(31)30-36;1-2-14-29(15-3-1)32-26-27-41(35-20-8-6-19-34(32)35)43-37-22-10-12-24-39(37)44(40-25-13-11-23-38(40)43)42-28-30-16-4-5-17-31(30)33-18-7-9-21-36(33)42/h1-32H;2*1-30H;1-28H |
| InChIKey | UQKADKIWBGTEEQ-UHFFFAOYSA-N |
| XLogP | 51.23 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 15 |
| Heavy Atoms | 185 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2342.99 |
| LogP ≤ 5 | 51.23 |
| 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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