C282H322Cl19N13O2S — CID 162172814
acetonitrile;chloromethane;dodecakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;2-(4-chloro-2-propan-2-ylphenyl)pyridine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;4-(4-chloro-2-propan-2-ylphenyl)pyridine;N-(4-chloro-2-propan-2-ylphenyl)pyrimidin-2-amine;ethane;methanesulfonamide;prop-1-ene (PubChem CID 162172814) has the molecular formula C282H322Cl19N13O2S and a molecular weight of 4631.44 g/mol. Its IUPAC name is acetonitrile;chloromethane;dodecakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;2-(4-chloro-2-propan-2-ylphenyl)pyridine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;4-(4-chloro-2-propan-2-ylphenyl)pyridine;N-(4-chloro-2-propan-2-ylphenyl)pyrimidin-2-amine;ethane;methanesulfonamide;prop-1-ene.
| Compound Name | acetonitrile;chloromethane;dodecakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;2-(4-chloro-2-propan-2-ylphenyl)pyridine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;4-(4-chloro-2-propan-2-ylphenyl)pyridine;N-(4-chloro-2-propan-2-ylphenyl)pyrimidin-2-amine;ethane;methanesulfonamide;prop-1-ene |
|---|---|
| PubChem CID | 162172814 |
| Molecular Formula | C282H322Cl19N13O2S |
| Molecular Weight | 4631.44 g/mol |
| Exact Mass | 4618.93 |
| IUPAC Name | acetonitrile;chloromethane;dodecakis(4-chloro-1-phenyl-2-propan-2-ylbenzene);N-(4-chloro-2-propan-2-ylphenyl)pyrazin-2-amine;4-(4-chloro-2-propan-2-ylphenyl)pyridazine;2-(4-chloro-2-propan-2-ylphenyl)pyridine;3-(4-chloro-2-propan-2-ylphenyl)pyridine;4-(4-chloro-2-propan-2-ylphenyl)pyridine;N-(4-chloro-2-propan-2-ylphenyl)pyrimidin-2-amine;ethane;methanesulfonamide;prop-1-ene |
| SMILES | C=CC.CC.CC.CC.CC.CC.CC.CC.CC#N.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccc1.CC(C)c1cc(Cl)ccc1-c1ccccn1.CC(C)c1cc(Cl)ccc1-c1cccnc1.CC(C)c1cc(Cl)ccc1-c1ccncc1.CC(C)c1cc(Cl)ccc1-c1ccnnc1.CC(C)c1cc(Cl)ccc1Nc1cnccn1.CC(C)c1cc(Cl)ccc1Nc1ncccn1.CCl.CS(N)(=O)=O |
| InChI | InChI=1S/12C15H15Cl.3C14H14ClN.2C13H14ClN3.C13H13ClN2.C3H6.C2H3N.7C2H6.CH3Cl.CH5NO2S/c12*1-11(2)15-10-13(16)8-9-14(15)12-6-4-3-5-7-12;1-10(2)14-9-12(15)3-4-13(14)11-5-7-16-8-6-11;1-10(2)14-8-12(15)5-6-13(14)11-4-3-7-16-9-11;1-10(2)13-9-11(15)6-7-12(13)14-5-3-4-8-16-14;1-9(2)11-8-10(14)4-5-12(11)17-13-15-6-3-7-16-13;1-9(2)11-7-10(14)3-4-12(11)17-13-8-15-5-6-16-13;1-9(2)13-7-11(14)3-4-12(13)10-5-6-15-16-8-10;1-3-2;1-2-3;8*1-2;1-5(2,3)4/h12*3-11H,1-2H3;3*3-10H,1-2H3;3-9H,1-2H3,(H,15,16,17);3-9H,1-2H3,(H,16,17);3-9H,1-2H3;3H,1H2,2H3;1H3;7*1-2H3;1H3;1H3,(H2,2,3,4) |
| InChIKey | ZNZXKBHQPIEQNR-UHFFFAOYSA-N |
| XLogP | 95.72 |
| TPSA | 224.02 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 317 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4631.44 |
| LogP ≤ 5 | 95.72 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 14 |