dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline

C123H106N20O5S6Se — CID 157072745

About dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline

dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline (PubChem CID 157072745) has the molecular formula C123H106N20O5S6Se and a molecular weight of 2215.70 g/mol. Its IUPAC name is dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline.

Molecular Properties

• Compound Name: dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline
• PubChem CID: 157072745
• Molecular Formula: C123H106N20O5S6Se
• Molecular Weight: 2215.70 g/mol
• Exact Mass: 2214.61
• IUPAC Name: dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline
• SMILES: CC1=CS(=O)(=O)C=C1C.Cc1c(C)c(-c2cccs2)c2nsnc2c1-c1cccs1.Cc1cc2n[se]nc2cc1C.Cc1cc2nsnc2cc1C.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc2ccccc2nc1C.Cn1c(-c2ccccc2)nnc1-c1ccccc1.O=S1(=O)c2ccccc2-c2ccccc21.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc2ncccc2c1.c1ccncc1.c1cncnc1
• InChI: InChI=1S/C16H13N3.C16H12N2S3.C15H13N3.C14H10N2O.C12H8O2S.C10H10N2.C9H7N.C8H8N2S.C8H8N2Se.C6H8O2S.C5H5N.C4H4N2/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-9-10(2)14(12-6-4-8-20-12)16-15(17-21-18-16)13(9)11-5-3-7-19-11;1-18-14(12-8-4-2-5-9-12)16-17-15(18)13-10-6-3-7-11-13;1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;1-7-8(2)12-10-6-4-3-5-9(10)11-7;1-2-6-9-8(4-1)5-3-7-10-9;2*1-5-3-7-8(4-6(5)2)10-11-9-7;1-5-3-9(7,8)4-6(5)2;1-2-4-6-5-3-1;1-2-5-4-6-3-1/h2-11H,1H3;3-8H,1-2H3;2-11H,1H3;1-10H;1-8H;3-6H,1-2H3;1-7H;2*3-4H,1-2H3;3-4H,1-2H3;1-5H;1-4H
• InChIKey: ACPUOGPPQDWWDC-UHFFFAOYSA-N
• XLogP: 29.21
• TPSA: 331.26 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 8
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2215.70
LogP ≤ 5	29.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline?

The IUPAC name of dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline (CID 157072745) is dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline.

What is the SMILES notation for dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline?

The canonical SMILES for dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline is CC1=CS(=O)(=O)C=C1C.Cc1c(C)c(-c2cccs2)c2nsnc2c1-c1cccs1.Cc1cc2n[se]nc2cc1C.Cc1cc2nsnc2cc1C.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.Cc1nc2ccccc2nc1C.Cn1c(-c2ccccc2)nnc1-c1ccccc1.O=S1(=O)c2ccccc2-c2ccccc21.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.c1ccc2ncccc2c1.c1ccncc1.c1cncnc1.

What is the InChIKey of dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline?

The InChIKey is ACPUOGPPQDWWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3.C16H12N2S3.C15H13N3.C14H10N2O.C12H8O2S.C10H10N2.C9H7N.C8H8N2S.C8H8N2Se.C6H8O2S.C5H5N.C4H4N2/c1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-9-10(2)14(12-6-4-8-20-12)16-15(17-21-18-16)13(9)11-5-3-7-19-11;1-18-14(12-8-4-2-5-9-12)16-17-15(18)13-10-6-3-7-11-13;1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15;1-7-8(2)12-10-6-4-3-5-9(10)11-7;1-2-6-9-8(4-1)5-3-7-10-9;2*1-5-3-7-8(4-6(5)2)10-11-9-7;1-5-3-9(7,8)4-6(5)2;1-2-4-6-5-3-1;1-2-5-4-6-3-1/h2-11H,1H3;3-8H,1-2H3;2-11H,1H3;1-10H;1-8H;3-6H,1-2H3;1-7H;2*3-4H,1-2H3;3-4H,1-2H3;1-5H;1-4H.

What are the key properties of dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline?

dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline has a molecular weight of 2215.70 g/mol, XLogP of 29.21, 8 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for dibenzothiophene 5,5-dioxide;5,6-dimethyl-2,1,3-benzoselenadiazole;5,6-dimethyl-2,1,3-benzothiadiazole;5,6-dimethyl-4,7-dithiophen-2-yl-2,1,3-benzothiadiazole;2,3-dimethylquinoxaline;3,4-dimethylthiophene 1,1-dioxide;2,5-diphenyl-1,3,4-oxadiazole;2-methyl-4,6-diphenyl-1,3,5-triazine;4-methyl-3,5-diphenyl-1,2,4-triazole;pyridine;pyrimidine;quinoline is sourced from PubChem (CID 157072745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).