C180H114O2 — CID 165001898
9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran (PubChem CID 165001898) has the molecular formula C180H114O2 and a molecular weight of 2308.89 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran.
| Compound Name | 9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran |
|---|---|
| PubChem CID | 165001898 |
| Molecular Formula | C180H114O2 |
| Molecular Weight | 2308.89 g/mol |
| Exact Mass | 2306.88 |
| IUPAC Name | 9-naphthalen-1-yl-10-naphthalen-2-ylanthracene;2-[10-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]anthracen-9-yl]dibenzofuran;9-[6-(3-naphthalen-2-ylphenyl)naphthalen-1-yl]-10-(4-phenylphenyl)anthracene;1-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]dibenzofuran |
| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3c(-c4c5ccccc5c(-c5ccc6oc7ccccc7c6c5)c5ccccc45)cccc3c2)c1.c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc6oc7ccccc7c56)ccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5cc(-c6cccc(-c7ccc8ccccc8c7)c6)ccc45)c4ccccc34)cc2)cc1.c1ccc2cc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C52H32O.C52H34.C42H26O.C34H22/c1-2-12-34-29-37(24-23-33(34)11-1)35-13-9-14-36(30-35)38-25-27-41-39(31-38)15-10-21-43(41)52-46-19-5-3-17-44(46)51(45-18-4-6-20-47(45)52)40-26-28-50-48(32-40)42-16-7-8-22-49(42)53-50;1-2-12-35(13-3-1)37-24-27-38(28-25-37)51-47-19-6-8-21-49(47)52(50-22-9-7-20-48(50)51)46-23-11-18-44-34-43(30-31-45(44)46)41-17-10-16-40(33-41)42-29-26-36-14-4-5-15-39(36)32-42;1-2-12-27(13-3-1)40-33-15-4-6-17-35(33)41(36-18-7-5-16-34(36)40)32-21-10-14-28-26-29(24-25-30(28)32)31-20-11-23-39-42(31)37-19-8-9-22-38(37)43-39;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/h1-32H;1-34H;1-26H;1-22H |
| InChIKey | IJLHNOZPHLVYQJ-UHFFFAOYSA-N |
| XLogP | 51.18 |
| TPSA | 26.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 182 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2308.89 |
| LogP ≤ 5 | 51.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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