2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline

C144H254N18OS — CID 157232935

About 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline

2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline (PubChem CID 157232935) has the molecular formula C144H254N18OS and a molecular weight of 2285.81 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline.

Molecular Properties

• Compound Name: 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline
• PubChem CID: 157232935
• Molecular Formula: C144H254N18OS
• Molecular Weight: 2285.81 g/mol
• Exact Mass: 2284.01
• IUPAC Name: 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.Cc1ccc(C)c2nsnc12.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1
• InChI: InChI=1S/C16H14N2O.2C12H8N2.C9H7N.C8H8N2S.C8H6N2.C5H5N.3C4H4N2.31C2H6/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14;2*1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-6-9-8(4-1)5-3-7-10-9;1-5-3-4-6(2)8-7(5)9-11-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;31*1-2/h3-10H,1-2H3;2*1-8H;1-7H;3-4H,1-2H3;1-6H;1-5H;3*1-4H;31*1-2H3
• InChIKey: AUHRECJGSNVDJQ-UHFFFAOYSA-N
• XLogP: 50.08
• TPSA: 245.16 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 2
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2285.81
LogP ≤ 5	50.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline?

The IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline (CID 157232935) is 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline.

What is the SMILES notation for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline?

The canonical SMILES for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.Cc1ccc(C)c2nsnc12.c1ccc2nc3ccccc3nc2c1.c1ccc2nc3ccccc3nc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.

What is the InChIKey of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline?

The InChIKey is AUHRECJGSNVDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O.2C12H8N2.C9H7N.C8H8N2S.C8H6N2.C5H5N.3C4H4N2.31C2H6/c1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14;2*1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10;1-2-6-9-8(4-1)5-3-7-10-9;1-5-3-4-6(2)8-7(5)9-11-10-8;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;31*1-2/h3-10H,1-2H3;2*1-8H;1-7H;3-4H,1-2H3;1-6H;1-5H;3*1-4H;31*1-2H3.

What are the key properties of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline?

2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline has a molecular weight of 2285.81 g/mol, XLogP of 50.08, 2 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-dimethyl-2,1,3-benzothiadiazole;ethane;phenazine;pyrazine;pyridazine;pyridine;pyrimidine;quinoline;quinoxaline is sourced from PubChem (CID 157232935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).