C182H118O — CID 165025568
2-naphthalen-1-yl-9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-phenanthren-9-yl-10-phenylanthracene;9-(3-phenanthren-9-ylphenyl)-10-phenylanthracene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran (PubChem CID 165025568) has the molecular formula C182H118O and a molecular weight of 2320.94 g/mol. Its IUPAC name is 2-naphthalen-1-yl-9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-phenanthren-9-yl-10-phenylanthracene;9-(3-phenanthren-9-ylphenyl)-10-phenylanthracene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran.
| Compound Name | 2-naphthalen-1-yl-9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-phenanthren-9-yl-10-phenylanthracene;9-(3-phenanthren-9-ylphenyl)-10-phenylanthracene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran |
|---|---|
| PubChem CID | 165025568 |
| Molecular Formula | C182H118O |
| Molecular Weight | 2320.94 g/mol |
| Exact Mass | 2318.92 |
| IUPAC Name | 2-naphthalen-1-yl-9,10-diphenylanthracene;9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;9-phenanthren-9-yl-10-phenylanthracene;9-(3-phenanthren-9-ylphenyl)-10-phenylanthracene;3-[10-(2-phenylphenyl)anthracen-9-yl]dibenzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cc4ccccc4c4ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cc5ccccc5c5ccccc45)c3)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4cccc5ccccc45)ccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4c(c3)oc3ccccc34)c3ccccc23)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C40H26.C38H24O.C36H24.2C34H22/c1-2-13-27(14-3-1)39-34-21-8-10-23-36(34)40(37-24-11-9-22-35(37)39)30-17-12-16-28(25-30)38-26-29-15-4-5-18-31(29)32-19-6-7-20-33(32)38;1-2-12-25(13-3-1)27-14-4-5-16-30(27)38-33-19-8-6-17-31(33)37(32-18-7-9-20-34(32)38)26-22-23-29-28-15-10-11-21-35(28)39-36(29)24-26;1-3-13-26(14-4-1)35-31-19-9-10-20-32(31)36(27-15-5-2-6-16-27)34-24-28(22-23-33(34)35)30-21-11-17-25-12-7-8-18-29(25)30;1-2-12-25-22-26(21-20-23(25)10-1)33-29-15-5-7-17-31(29)34(32-18-8-6-16-30(32)33)28-19-9-13-24-11-3-4-14-27(24)28;1-2-12-23(13-3-1)33-28-18-8-10-20-30(28)34(31-21-11-9-19-29(31)33)32-22-24-14-4-5-15-25(24)26-16-6-7-17-27(26)32/h1-26H;1-24H;1-24H;2*1-22H |
| InChIKey | LVGCEXAZBZFHHS-UHFFFAOYSA-N |
| XLogP | 51.61 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 183 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2320.94 |
| LogP ≤ 5 | 51.61 |
| 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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