C176H112O2 — CID 165012926
9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran (PubChem CID 165012926) has the molecular formula C176H112O2 and a molecular weight of 2258.83 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran.
| Compound Name | 9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran |
|---|---|
| PubChem CID | 165012926 |
| Molecular Formula | C176H112O2 |
| Molecular Weight | 2258.83 g/mol |
| Exact Mass | 2256.87 |
| IUPAC Name | 9-naphthalen-1-yl-10-[4-(6-phenylnaphthalen-2-yl)phenyl]anthracene;9-[6-(4-phenanthren-9-ylphenyl)naphthalen-1-yl]-10-phenylanthracene;4-(10-phenylanthracen-9-yl)dibenzofuran;4-[3-[5-(10-phenylanthracen-9-yl)naphthalen-2-yl]phenyl]dibenzofuran |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cccc4c3oc3ccccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5ccc(-c6cc7ccccc7c7ccccc67)cc5)ccc34)c3ccccc23)cc1.c1ccc(-c2c3ccccc3c(-c3cccc4cc(-c5cccc(-c6cccc7c6oc6ccccc67)c5)ccc34)c3ccccc23)cc1.c1ccc(-c2ccc3cc(-c4ccc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)cc4)ccc3c2)cc1 |
| InChI | InChI=1S/C50H32.C48H30O.C46H30.C32H20O/c1-2-13-35(14-3-1)49-44-20-8-10-22-46(44)50(47-23-11-9-21-45(47)49)43-24-12-16-37-31-36(29-30-40(37)43)33-25-27-34(28-26-33)48-32-38-15-4-5-17-39(38)41-18-6-7-19-42(41)48;1-2-13-31(14-3-1)46-40-19-4-6-21-42(40)47(43-22-7-5-20-41(43)46)39-24-11-17-34-30-33(27-28-36(34)39)32-15-10-16-35(29-32)37-23-12-25-44-38-18-8-9-26-45(38)49-48(37)44;1-2-11-31(12-3-1)35-25-27-38-30-36(26-28-37(38)29-35)32-21-23-34(24-22-32)45-41-16-6-8-18-43(41)46(44-19-9-7-17-42(44)45)40-20-10-14-33-13-4-5-15-39(33)40;1-2-11-21(12-3-1)30-23-14-4-6-16-25(23)31(26-17-7-5-15-24(26)30)28-19-10-18-27-22-13-8-9-20-29(22)33-32(27)28/h1-32H;1-30H;1-30H;1-20H |
| InChIKey | JYZPZSZQWBAINX-UHFFFAOYSA-N |
| XLogP | 50.03 |
| TPSA | 26.28 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 178 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2258.83 |
| LogP ≤ 5 | 50.03 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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