C228H168N18 — CID 159374812
3-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;4-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;3,5-dimethyl-1-phenyl-4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]pyrazole;3,5-dimethyl-1-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pyrazole;2-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine;4-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-4-ylphenyl]pyridine (PubChem CID 159374812) has the molecular formula C228H168N18 and a molecular weight of 3159.98 g/mol. Its IUPAC name is 3-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;4-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;3,5-dimethyl-1-phenyl-4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]pyrazole;3,5-dimethyl-1-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pyrazole;2-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine;4-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-4-ylphenyl]pyridine.
| Compound Name | 3-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;4-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;3,5-dimethyl-1-phenyl-4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]pyrazole;3,5-dimethyl-1-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pyrazole;2-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine;4-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-4-ylphenyl]pyridine |
|---|---|
| PubChem CID | 159374812 |
| Molecular Formula | C228H168N18 |
| Molecular Weight | 3159.98 g/mol |
| Exact Mass | 3157.37 |
| IUPAC Name | 3-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;4-[3,5-dimethyl-4-(10-phenylanthracen-9-yl)pyrazol-1-yl]pyridine;3,5-dimethyl-1-phenyl-4-[10-(10-phenylanthracen-9-yl)anthracen-9-yl]pyrazole;3,5-dimethyl-1-phenyl-4-[10-(4-phenylnaphthalen-1-yl)anthracen-9-yl]pyrazole;2-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-2-ylphenyl]pyridine;4-[3-[10-(3,5-dimethyl-1-phenylpyrazol-4-yl)anthracen-9-yl]-5-pyridin-4-ylphenyl]pyridine |
| SMILES | Cc1nn(-c2ccccc2)c(C)c1-c1c2ccccc2c(-c2c3ccccc3c(-c3ccccc3)c3ccccc23)c2ccccc12.Cc1nn(-c2ccccc2)c(C)c1-c1c2ccccc2c(-c2cc(-c3ccccn3)cc(-c3ccccn3)c2)c2ccccc12.Cc1nn(-c2ccccc2)c(C)c1-c1c2ccccc2c(-c2cc(-c3ccncc3)cc(-c3ccncc3)c2)c2ccccc12.Cc1nn(-c2ccccc2)c(C)c1-c1c2ccccc2c(-c2ccc(-c3ccccc3)c3ccccc23)c2ccccc12.Cc1nn(-c2cccnc2)c(C)c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12.Cc1nn(-c2ccncc2)c(C)c1-c1c2ccccc2c(-c2ccccc2)c2ccccc12 |
| InChI | InChI=1S/C45H32N2.2C41H30N4.C41H30N2.2C30H23N3/c1-29-41(30(2)47(46-29)32-19-7-4-8-20-32)43-37-25-13-15-27-39(37)45(40-28-16-14-26-38(40)43)44-35-23-11-9-21-33(35)42(31-17-5-3-6-18-31)34-22-10-12-24-36(34)44;1-27-39(28(2)45(44-27)32-14-4-3-5-15-32)41-35-18-8-6-16-33(35)40(34-17-7-9-19-36(34)41)31-25-29(37-20-10-12-22-42-37)24-30(26-31)38-21-11-13-23-43-38;1-27-39(28(2)45(44-27)34-10-4-3-5-11-34)41-37-14-8-6-12-35(37)40(36-13-7-9-15-38(36)41)33-25-31(29-16-20-42-21-17-29)24-32(26-33)30-18-22-43-23-19-30;1-27-39(28(2)43(42-27)30-17-7-4-8-18-30)41-36-23-13-11-21-34(36)40(35-22-12-14-24-37(35)41)38-26-25-31(29-15-5-3-6-16-29)32-19-9-10-20-33(32)38;1-20-28(21(2)33(32-20)23-13-10-18-31-19-23)30-26-16-8-6-14-24(26)29(22-11-4-3-5-12-22)25-15-7-9-17-27(25)30;1-20-28(21(2)33(32-20)23-16-18-31-19-17-23)30-26-14-8-6-12-24(26)29(22-10-4-3-5-11-22)25-13-7-9-15-27(25)30/h3-28H,1-2H3;2*3-26H,1-2H3;3-26H,1-2H3;2*3-19H,1-2H3 |
| InChIKey | LKEGTANAMPJKIU-UHFFFAOYSA-N |
| XLogP | 58.61 |
| TPSA | 184.26 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 246 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3159.98 |
| LogP ≤ 5 | 58.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 18 |
| Structural Alerts | {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'} |
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