C228H146 — CID 158259921
9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene (PubChem CID 158259921) has the molecular formula C228H146 and a molecular weight of 2885.68 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene.
| Compound Name | 9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene |
|---|---|
| PubChem CID | 158259921 |
| Molecular Formula | C228H146 |
| Molecular Weight | 2885.68 g/mol |
| Exact Mass | 2883.14 |
| IUPAC Name | 9-naphthalen-1-yl-10-(6-naphthalen-1-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-naphthalen-2-ylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-(6-phenanthren-9-ylnaphthalen-2-yl)anthracene;9-naphthalen-2-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-naphthalen-1-yl-10-[6-[2-(4-phenylphenyl)phenyl]naphthalen-2-yl]anthracene |
| SMILES | c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccc(-c3ccccc3-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)cc2)cc1.c1ccc2c(-c3c4ccccc4c(-c4ccc5cc(-c6cc7ccccc7c7ccccc67)ccc5c4)c4ccccc34)cccc2c1.c1ccc2c(-c3ccc4cc(-c5c6ccccc6c(-c6cccc7ccccc67)c6ccccc56)ccc4c3)cccc2c1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)c4ccccc34)ccc2c1 |
| InChI | InChI=1S/C52H34.C48H30.2C44H28.C40H26/c1-2-13-35(14-3-1)36-25-27-38(28-26-36)43-17-6-7-19-45(43)41-31-29-40-34-42(32-30-39(40)33-41)51-47-20-8-10-22-49(47)52(50-23-11-9-21-48(50)51)46-24-12-16-37-15-4-5-18-44(37)46;1-3-15-37-31(12-1)14-11-23-41(37)48-44-21-9-7-19-42(44)47(43-20-8-10-22-45(43)48)36-27-25-32-28-35(26-24-33(32)29-36)46-30-34-13-2-4-16-38(34)39-17-5-6-18-40(39)46;1-3-15-35-29(11-1)13-9-21-37(35)33-25-23-32-28-34(26-24-31(32)27-33)43-39-17-5-7-19-41(39)44(42-20-8-6-18-40(42)43)38-22-10-14-30-12-2-4-16-36(30)38;1-3-13-31-27-33(23-21-29(31)11-1)35-25-26-42(37-16-6-5-15-36(35)37)44-40-19-9-7-17-38(40)43(39-18-8-10-20-41(39)44)34-24-22-30-12-2-4-14-32(30)28-34;1-2-13-28(14-3-1)31-24-25-38(33-17-7-6-16-32(31)33)40-36-20-10-8-18-34(36)39(35-19-9-11-21-37(35)40)30-23-22-27-12-4-5-15-29(27)26-30/h1-34H;1-30H;2*1-28H;1-26H |
| InChIKey | GHTHKMWWMGJOBV-UHFFFAOYSA-N |
| XLogP | 64.45 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 17 |
| Heavy Atoms | 228 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2885.68 |
| LogP ≤ 5 | 64.45 |
| 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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