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

C282H322Cl19N13O2S — CID 162172814

IUPACacetonitrile;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
SMILESC=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
InChIInChI=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)
InChIKeyZNZXKBHQPIEQNR-UHFFFAOYSA-N
MW4631.44 g/mol
LogP95.72
Rot. Bonds38

About 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

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.

Molecular Properties

Compound Nameacetonitrile;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 CID162172814
Molecular FormulaC282H322Cl19N13O2S
Molecular Weight4631.44 g/mol
Exact Mass4618.93
IUPAC Nameacetonitrile;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
SMILESC=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
InChIInChI=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)
InChIKeyZNZXKBHQPIEQNR-UHFFFAOYSA-N
XLogP95.72
TPSA224.02 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds38
Heavy Atoms317
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004631.44
LogP ≤ 595.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 162172814) 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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.
What is the InChIKey of 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?
The InChIKey is ZNZXKBHQPIEQNR-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 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?
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 has a molecular weight of 4631.44 g/mol, XLogP of 95.72, 38 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162172814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).