C204H128 — CID 158321046
4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene (PubChem CID 158321046) has the molecular formula C204H128 and a molecular weight of 2579.27 g/mol. Its IUPAC name is 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene.
| Compound Name | 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene |
|---|---|
| PubChem CID | 158321046 |
| Molecular Formula | C204H128 |
| Molecular Weight | 2579.27 g/mol |
| Exact Mass | 2577.00 |
| IUPAC Name | 4-[10-(3-naphthalen-1-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-(3-naphthalen-2-ylphenyl)anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-1-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene;4-[10-[3-(3-naphthalen-2-ylphenyl)phenyl]anthracen-9-yl]benzo[a]anthracene |
| SMILES | c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4c3ccc3cc5ccccc5cc34)c3ccccc23)c1.c1cc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)c2)cc(-c2ccc3ccccc3c2)c1.c1cc(-c2cccc(-c3c4ccccc4c(-c4cccc5c4ccc4cc6ccccc6cc45)c4ccccc34)c2)cc(-c2cccc3ccccc23)c1.c1cc(-c2cccc3ccccc23)cc(-c2c3ccccc3c(-c3cccc4c3ccc3cc5ccccc5cc34)c3ccccc23)c1 |
| InChI | InChI=1S/2C54H34.2C48H30/c1-2-15-39-34-52-41(32-36(39)14-1)29-30-46-45(52)27-12-28-47(46)54-50-24-7-5-22-48(50)53(49-23-6-8-25-51(49)54)42-20-10-18-38(33-42)37-17-9-19-40(31-37)44-26-11-16-35-13-3-4-21-43(35)44;1-2-13-36-30-42(27-26-35(36)12-1)39-17-9-16-38(31-39)40-18-10-19-44(33-40)53-48-20-5-7-22-50(48)54(51-23-8-6-21-49(51)53)47-25-11-24-45-46(47)29-28-43-32-37-14-3-4-15-41(37)34-52(43)45;1-2-14-33-30-46-35(28-32(33)13-1)26-27-40-39(46)24-11-25-41(40)48-44-21-7-5-19-42(44)47(43-20-6-8-22-45(43)48)36-17-9-16-34(29-36)38-23-10-15-31-12-3-4-18-37(31)38;1-2-12-32-27-36(24-23-31(32)11-1)34-15-9-16-38(29-34)47-42-17-5-7-19-44(42)48(45-20-8-6-18-43(45)47)41-22-10-21-39-40(41)26-25-37-28-33-13-3-4-14-35(33)30-46(37)39/h2*1-34H;2*1-30H |
| InChIKey | GOVUUWZVEBYNLL-UHFFFAOYSA-N |
| XLogP | 57.76 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 14 |
| Heavy Atoms | 204 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2579.27 |
| LogP ≤ 5 | 57.76 |
| 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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