bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene)

C227H285N39O8S2 — CID 157068523

About bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene)

bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene) (PubChem CID 157068523) has the molecular formula C227H285N39O8S2 and a molecular weight of 3752.18 g/mol. Its IUPAC name is bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene).

Molecular Properties

• Compound Name: bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene)
• PubChem CID: 157068523
• Molecular Formula: C227H285N39O8S2
• Molecular Weight: 3752.18 g/mol
• Exact Mass: 3749.25
• IUPAC Name: bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene)
• SMILES: Cc1cccc(C(N)=O)c1.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccncc1C#N.Cc1ccncc1C(N)=O.Cc1ccncc1CN.Cc1ccncc1N.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ccnnc1.[C-]#[N+]c1cccc(C)c1.[H]/N=C(\C)c1ccccc1C.[H]/N=C(\N)c1ccccc1C
• InChI: InChI=1S/C13H19N.C12H17NO.C12H17N.C9H11N.C8H10N2.2C8H9NO.C8H7N.C8H11N.C8H7N.3C8H10.C7H8N2O.C7H10N2.C7H6N2.C7H9NO2S.5C7H9N.C7H8.C6H9N3.C6H8N2O2S.2C6H8N2.C5H7N3.2C5H6N2/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-7-5-3-4-6-9(7)8(2)10;1-6-4-2-3-5-7(6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-4-3-5-8(6-7)9-2;2*1-7-4-2-3-5-8(7)6-9;3*1-7-5-3-4-6-8(7)2;1-5-2-3-9-4-6(5)7(8)10;2*1-6-2-3-9-5-7(6)4-8;1-6-4-2-3-5-7(6)11(8,9)10;3*1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-6(4-7)9-5;1-5-2-3-8-4-6(5)11(7,9)10;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5/h3-4,7-8H,2,5-6,9-11H2,1H3;2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;3-6,10H,1-2H3;2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2-5H,1H3;3*3-6H,1-2H3;2-4H,1H3,(H2,8,10);2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-5H,1H3,(H2,8,9,10);5*3-5H,1-2H3;2-6H,1H3;2-3H,4,7H2,1H3;2-4H,1H3,(H2,7,9,10);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-3H,1H3,(H2,6,7,8);2*2-4H,1H3/b;;;10-8+
• InChIKey: ACDUCAXYKJGIHJ-INEILDILSA-N
• XLogP: 43.92
• TPSA: 795.23 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 40
• Rotatable Bonds: 16
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3752.18
LogP ≤ 5	43.92
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene)?

The IUPAC name of bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene) (CID 157068523) is bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene).

What is the SMILES notation for bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene)?

The canonical SMILES for bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene) is Cc1cccc(C(N)=O)c1.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C.Cc1ccccc1C#N.Cc1ccccc1C(N)=O.Cc1ccccc1CN.Cc1ccccc1CN1CCCC1.Cc1ccccc1CN1CCCCC1.Cc1ccccc1CN1CCOCC1.Cc1ccccc1S(N)(=O)=O.Cc1ccnc(C)c1.Cc1ccnc(C)c1.Cc1ccnc(CN)n1.Cc1ccnc(N)c1.Cc1ccnc(N)n1.Cc1ccncc1C.Cc1ccncc1C.Cc1ccncc1C.Cc1ccncc1C#N.Cc1ccncc1C(N)=O.Cc1ccncc1CN.Cc1ccncc1N.Cc1ccncc1S(N)(=O)=O.Cc1ccncn1.Cc1ccnnc1.[C-]#[N+]c1cccc(C)c1.[H]/N=C(\C)c1ccccc1C.[H]/N=C(\N)c1ccccc1C.

What is the InChIKey of bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene)?

The InChIKey is ACDUCAXYKJGIHJ-INEILDILSA-N. The full InChI is InChI=1S/C13H19N.C12H17NO.C12H17N.C9H11N.C8H10N2.2C8H9NO.C8H7N.C8H11N.C8H7N.3C8H10.C7H8N2O.C7H10N2.C7H6N2.C7H9NO2S.5C7H9N.C7H8.C6H9N3.C6H8N2O2S.2C6H8N2.C5H7N3.2C5H6N2/c1-12-7-3-4-8-13(12)11-14-9-5-2-6-10-14;1-11-4-2-3-5-12(11)10-13-6-8-14-9-7-13;1-11-6-2-3-7-12(11)10-13-8-4-5-9-13;1-7-5-3-4-6-9(7)8(2)10;1-6-4-2-3-5-7(6)8(9)10;1-6-3-2-4-7(5-6)8(9)10;1-6-4-2-3-5-7(6)8(9)10;1-7-4-3-5-8(6-7)9-2;2*1-7-4-2-3-5-8(7)6-9;3*1-7-5-3-4-6-8(7)2;1-5-2-3-9-4-6(5)7(8)10;2*1-6-2-3-9-5-7(6)4-8;1-6-4-2-3-5-7(6)11(8,9)10;3*1-6-3-4-8-5-7(6)2;2*1-6-3-4-8-7(2)5-6;1-7-5-3-2-4-6-7;1-5-2-3-8-6(4-7)9-5;1-5-2-3-8-4-6(5)11(7,9)10;1-5-2-3-8-4-6(5)7;1-5-2-3-8-6(7)4-5;1-4-2-3-7-5(6)8-4;1-5-2-3-6-4-7-5;1-5-2-3-6-7-4-5/h3-4,7-8H,2,5-6,9-11H2,1H3;2-5H,6-10H2,1H3;2-3,6-7H,4-5,8-10H2,1H3;3-6,10H,1-2H3;2-5H,1H3,(H3,9,10);2*2-5H,1H3,(H2,9,10);3-6H,1H3;2-5H,6,9H2,1H3;2-5H,1H3;3*3-6H,1-2H3;2-4H,1H3,(H2,8,10);2-3,5H,4,8H2,1H3;2-3,5H,1H3;2-5H,1H3,(H2,8,9,10);5*3-5H,1-2H3;2-6H,1H3;2-3H,4,7H2,1H3;2-4H,1H3,(H2,7,9,10);2-4H,7H2,1H3;2-4H,1H3,(H2,7,8);2-3H,1H3,(H2,6,7,8);2*2-4H,1H3/b;;;10-8+;;;;;;;;;;;;;;;;;;;;;;;;;;.

What are the key properties of bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene)?

bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene) has a molecular weight of 3752.18 g/mol, XLogP of 43.92, 16 rotatable bonds, 14 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2,4-dimethylpyridine);tris(3,4-dimethylpyridine);1-isocyano-3-methylbenzene;2-methylbenzamide;3-methylbenzamide;2-methylbenzenecarboximidamide;2-methylbenzenesulfonamide;2-methylbenzonitrile;1-(2-methylphenyl)ethanimine;(2-methylphenyl)methanamine;4-[(2-methylphenyl)methyl]morpholine;1-[(2-methylphenyl)methyl]piperidine;1-[(2-methylphenyl)methyl]pyrrolidine;4-methylpyridazine;4-methylpyridin-2-amine;4-methylpyridin-3-amine;4-methylpyridine-3-carbonitrile;4-methylpyridine-3-carboxamide;4-methylpyridine-3-sulfonamide;(4-methyl-3-pyridinyl)methanamine;4-methylpyrimidin-2-amine;4-methylpyrimidine;(4-methylpyrimidin-2-yl)methanamine;toluene;tris(1,2-xylene) is sourced from PubChem (CID 157068523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).