C236H154 — CID 159025399
9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;1-[10-(2-phenylphenyl)anthracen-9-yl]pyrene;1,2,3,4-tetradeuterio-9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene (PubChem CID 159025399) has the molecular formula C236H154 and a molecular weight of 2993.85 g/mol. Its IUPAC name is 9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;1-[10-(2-phenylphenyl)anthracen-9-yl]pyrene;1,2,3,4-tetradeuterio-9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene.
| Compound Name | 9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;1-[10-(2-phenylphenyl)anthracen-9-yl]pyrene;1,2,3,4-tetradeuterio-9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 159025399 |
| Molecular Formula | C236H154 |
| Molecular Weight | 2993.85 g/mol |
| Exact Mass | 2991.23 |
| IUPAC Name | 9-naphthalen-1-yl-10-(4-naphthalen-2-ylphenyl)anthracene;9-naphthalen-2-yl-10-(3-naphthalen-2-ylphenyl)anthracene;9-naphthalen-1-yl-10-(4-phenylnaphthalen-1-yl)anthracene;9-(3-naphthalen-1-ylphenyl)-10-phenylanthracene;1-[10-(2-phenylphenyl)anthracen-9-yl]pyrene;1,2,3,4-tetradeuterio-9-(3-phenylphenyl)-10-(4-phenylphenyl)anthracene |
| SMILES | [2H]c1c([2H])c([2H])c2c(-c3cccc(-c4ccccc4)c3)c3ccccc3c(-c3ccc(-c4ccccc4)cc3)c2c1[2H].c1cc(-c2ccc3ccccc3c2)cc(-c2c3ccccc3c(-c3ccc4ccccc4c3)c3ccccc23)c1.c1ccc(-c2c3ccccc3c(-c3cccc(-c4cccc5ccccc45)c3)c3ccccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4ccccc34)c3ccccc23)cc1.c1ccc(-c2ccccc2-c2c3ccccc3c(-c3ccc4ccc5cccc6ccc3c4c56)c3ccccc23)cc1.c1ccc2cc(-c3ccc(-c4c5ccccc5c(-c5cccc6ccccc56)c5ccccc45)cc3)ccc2c1 |
| InChI | InChI=1S/C42H26.3C40H26.C38H26.C36H24/c1-2-11-27(12-3-1)31-15-4-5-16-32(31)41-33-17-6-8-19-35(33)42(36-20-9-7-18-34(36)41)38-26-24-30-22-21-28-13-10-14-29-23-25-37(38)40(30)39(28)29;1-3-12-29-24-32(22-20-27(29)10-1)31-14-9-15-33(26-31)39-35-16-5-7-18-37(35)40(38-19-8-6-17-36(38)39)34-23-21-28-11-2-4-13-30(28)25-34;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;1-2-13-27(14-3-1)30-25-26-38(32-19-7-6-18-31(30)32)40-36-22-10-8-20-34(36)39(35-21-9-11-23-37(35)40)33-24-12-16-28-15-4-5-17-29(28)33;1-3-12-27(13-4-1)29-22-24-30(25-23-29)37-33-18-7-9-20-35(33)38(36-21-10-8-19-34(36)37)32-17-11-16-31(26-32)28-14-5-2-6-15-28;1-2-13-26(14-3-1)35-31-19-6-8-21-33(31)36(34-22-9-7-20-32(34)35)28-17-10-16-27(24-28)30-23-11-15-25-12-4-5-18-29(25)30/h1-26H;3*1-26H;1-26H;1-24H/i;;;;7D,9D,18D,20D; |
| InChIKey | JUFIRTGBZBKBIE-OUAPFUIISA-N |
| XLogP | 66.60 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 19 |
| Heavy Atoms | 236 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2993.85 |
| LogP ≤ 5 | 66.60 |
| 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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