C240H164 — CID 161076468
9-[7-(8a,9-dihydrophenanthren-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-10-naphthalen-1-yl-4a,9a-dihydroanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene (PubChem CID 161076468) has the molecular formula C240H164 and a molecular weight of 3047.95 g/mol. Its IUPAC name is 9-[7-(8a,9-dihydrophenanthren-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-10-naphthalen-1-yl-4a,9a-dihydroanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene.
| Compound Name | 9-[7-(8a,9-dihydrophenanthren-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-10-naphthalen-1-yl-4a,9a-dihydroanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 161076468 |
| Molecular Formula | C240H164 |
| Molecular Weight | 3047.95 g/mol |
| Exact Mass | 3045.28 |
| IUPAC Name | 9-[7-(8a,9-dihydrophenanthren-9-yl)-1,7,8,8a-tetrahydronaphthalen-2-yl]-10-naphthalen-1-yl-4a,9a-dihydroanthracene;9-naphthalen-1-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(6-phenylnaphthalen-2-yl)anthracene;9-naphthalen-1-yl-10-(3-phenylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylphenyl)anthracene |
| SMILES | C1=CC2=c3ccccc3=CC(C3C=CC4=CC=C(C5=c6ccccc6=C(c6cccc7ccccc67)C6C=CC=CC56)CC4C3)C2C=C1.c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccccc23)c1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)cc2)cc1.c1ccc(-c2ccc3cc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)ccc3c2)cc1.c1ccc(-c2cccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c2)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/C48H38.3C40H26.2C36H24/c1-3-15-37-32(12-1)14-11-23-41(37)48-44-21-9-7-19-42(44)47(43-20-8-10-22-45(43)48)35-27-25-31-24-26-34(28-36(31)29-35)46-30-33-13-2-4-16-38(33)39-17-5-6-18-40(39)46;1-2-13-29-25-31(24-23-27(29)11-1)30-15-9-16-32(26-30)39-35-18-5-7-20-37(35)40(38-21-8-6-19-36(38)39)34-22-10-14-28-12-3-4-17-33(28)34;1-2-12-31-26-32(25-22-27(31)10-1)28-20-23-30(24-21-28)39-35-15-5-7-17-37(35)40(38-18-8-6-16-36(38)39)34-19-9-13-29-11-3-4-14-33(29)34;1-2-11-27(12-3-1)29-21-22-31-26-32(24-23-30(31)25-29)39-35-16-6-8-18-37(35)40(38-19-9-7-17-36(38)39)34-20-10-14-28-13-4-5-15-33(28)34;1-2-12-25(13-3-1)27-16-10-17-28(24-27)35-31-19-6-8-21-33(31)36(34-22-9-7-20-32(34)35)30-23-11-15-26-14-4-5-18-29(26)30;1-2-11-25(12-3-1)26-21-23-28(24-22-26)35-31-16-6-8-18-33(31)36(34-19-9-7-17-32(34)35)30-20-10-14-27-13-4-5-15-29(27)30/h1-27,30,34,36,40,42,44,46H,28-29H2;3*1-26H;2*1-24H |
| InChIKey | UFINZDMXWRWSQB-UHFFFAOYSA-N |
| XLogP | 62.21 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 18 |
| Heavy Atoms | 240 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3047.95 |
| LogP ≤ 5 | 62.21 |
| 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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