C188H126 — CID 158722566
9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene (PubChem CID 158722566) has the molecular formula C188H126 and a molecular weight of 2385.08 g/mol. Its IUPAC name is 9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene.
| Compound Name | 9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene |
|---|---|
| PubChem CID | 158722566 |
| Molecular Formula | C188H126 |
| Molecular Weight | 2385.08 g/mol |
| Exact Mass | 2382.99 |
| IUPAC Name | 9-(2-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(3-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-naphthalen-1-ylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene;9-(4-phenylphenyl)-10-[2-(4-phenylphenyl)phenyl]anthracene |
| SMILES | c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4cccc(-c5cccc6ccccc56)c4)c4ccccc34)cc2)cc1.c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccccc4-c4cccc5ccccc45)c4ccccc34)cc2)cc1 |
| InChI | InChI=1S/3C48H32.C44H30/c1-2-15-33(16-3-1)34-29-31-36(32-30-34)38-20-6-8-22-41(38)47-43-24-10-12-26-45(43)48(46-27-13-11-25-44(46)47)42-23-9-7-21-40(42)39-28-14-18-35-17-4-5-19-37(35)39;1-2-14-33(15-3-1)34-28-30-36(31-29-34)40-21-6-7-22-42(40)48-45-25-10-8-23-43(45)47(44-24-9-11-26-46(44)48)38-19-12-18-37(32-38)41-27-13-17-35-16-4-5-20-39(35)41;1-2-13-33(14-3-1)34-25-27-37(28-26-34)41-18-6-7-19-42(41)48-45-22-10-8-20-43(45)47(44-21-9-11-23-46(44)48)38-31-29-36(30-32-38)40-24-12-16-35-15-4-5-17-39(35)40;1-3-13-31(14-4-1)33-23-27-35(28-24-33)37-17-7-8-18-38(37)44-41-21-11-9-19-39(41)43(40-20-10-12-22-42(40)44)36-29-25-34(26-30-36)32-15-5-2-6-16-32/h3*1-32H;1-30H |
| InChIKey | IKCFBLYGUWJPDT-UHFFFAOYSA-N |
| XLogP | 52.77 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 20 |
| Heavy Atoms | 188 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2385.08 |
| LogP ≤ 5 | 52.77 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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