C244H162 — CID 161337169
9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene (PubChem CID 161337169) has the molecular formula C244H162 and a molecular weight of 3093.98 g/mol. Its IUPAC name is 9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene.
| Compound Name | 9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene |
|---|---|
| PubChem CID | 161337169 |
| Molecular Formula | C244H162 |
| Molecular Weight | 3093.98 g/mol |
| Exact Mass | 3091.27 |
| IUPAC Name | 9,10-dinaphthalen-1-yl-2-phenylanthracene;2-naphthalen-2-yl-9,10-diphenylanthracene;10-naphthalen-1-yl-2-naphthalen-2-yl-9-phenylanthracene;9-naphthalen-1-yl-2-phenyl-10-(4-phenylphenyl)anthracene;9-naphthalen-2-yl-2-phenyl-10-(4-phenylphenyl)anthracene;2-phenyl-9,10-bis(4-phenylphenyl)anthracene |
| SMILES | c1ccc(-c2c3ccccc3c(-c3cccc4ccccc34)c3ccc(-c4ccc5ccccc5c4)cc23)cc1.c1ccc(-c2c3ccccc3c(-c3ccccc3)c3cc(-c4ccc5ccccc5c4)ccc23)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5ccccc5)cc4)c4cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc(-c3c4ccccc4c(-c4cccc5ccccc45)c4cc(-c5ccccc5)ccc34)cc2)cc1.c1ccc(-c2ccc3c(-c4cccc5ccccc45)c4ccccc4c(-c4cccc5ccccc45)c3c2)cc1 |
| InChI | InChI=1S/C44H30.2C42H28.2C40H26.C36H24/c1-4-12-31(13-5-1)34-20-24-36(25-21-34)43-39-18-10-11-19-40(39)44(37-26-22-35(23-27-37)32-14-6-2-7-15-32)42-30-38(28-29-41(42)43)33-16-8-3-9-17-33;1-3-12-29(13-4-1)31-22-24-33(25-23-31)41-37-19-9-10-20-38(37)42(36-21-11-17-32-16-7-8-18-35(32)36)40-28-34(26-27-39(40)41)30-14-5-2-6-15-30;1-3-11-29(12-4-1)32-19-22-33(23-20-32)41-37-17-9-10-18-38(37)42(36-24-21-31-15-7-8-16-34(31)27-36)40-28-35(25-26-39(40)41)30-13-5-2-6-14-30;1-2-12-27(13-3-1)30-24-25-37-38(26-30)40(34-23-11-17-29-15-5-7-19-32(29)34)36-21-9-8-20-35(36)39(37)33-22-10-16-28-14-4-6-18-31(28)33;1-2-13-29(14-3-1)39-35-18-8-9-19-36(35)40(34-20-10-16-28-12-6-7-17-33(28)34)37-24-23-32(26-38(37)39)31-22-21-27-11-4-5-15-30(27)25-31;1-3-12-26(13-4-1)35-31-17-9-10-18-32(31)36(27-14-5-2-6-15-27)34-24-30(21-22-33(34)35)29-20-19-25-11-7-8-16-28(25)23-29/h1-30H;2*1-28H;2*1-26H;1-24H |
| InChIKey | VMELWKHRASPLSD-UHFFFAOYSA-N |
| XLogP | 68.70 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 22 |
| Heavy Atoms | 244 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3093.98 |
| LogP ≤ 5 | 68.70 |
| 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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