[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine

C182H163N23OS6 — CID 157071381

About [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine

[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine (PubChem CID 157071381) has the molecular formula C182H163N23OS6 and a molecular weight of 2880.87 g/mol. Its IUPAC name is [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine.

Molecular Properties

• Compound Name: [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine
• PubChem CID: 157071381
• Molecular Formula: C182H163N23OS6
• Molecular Weight: 2880.87 g/mol
• Exact Mass: 2878.17
• IUPAC Name: [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1cncnc12.c1ccc2c(c1)sc1nccnc12.c1ccc2c(c1)sc1ncncc12
• InChI: InChI=1S/C22H15N3O.C22H17N3.C22H16N2.C21H15N3.C16H13N3.3C11H7NS.3C10H6N2S.8C2H6/c1-14-23-21(15-7-3-2-4-8-15)25-22(24-14)16-11-12-18-17-9-5-6-10-19(17)26-20(18)13-16;1-16-23-21(19-10-6-3-7-11-19)25-22(24-16)20-14-12-18(13-15-20)17-8-4-2-5-9-17;1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;8*1-2/h2-13H,1H3;2-15H,1H3;1-16H;1-15H;2-11H,1H3;3*1-7H;3*1-6H;8*1-2H3
• InChIKey: ACLYCYMQLHZUEU-UHFFFAOYSA-N
• XLogP: 51.55
• TPSA: 309.61 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2880.87
LogP ≤ 5	51.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine?

The IUPAC name of [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine (CID 157071381) is [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine.

What is the SMILES notation for [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine?

The canonical SMILES for [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine is CC.CC.CC.CC.CC.CC.CC.CC.Cc1nc(-c2ccccc2)nc(-c2ccc(-c3ccccc3)cc2)n1.Cc1nc(-c2ccccc2)nc(-c2ccc3c(c2)oc2ccccc23)n1.Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1.c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)cc1.c1ccc2c(c1)sc1cccnc12.c1ccc2c(c1)sc1ccncc12.c1ccc2c(c1)sc1cnccc12.c1ccc2c(c1)sc1cncnc12.c1ccc2c(c1)sc1nccnc12.c1ccc2c(c1)sc1ncncc12.

What is the InChIKey of [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine?

The InChIKey is ACLYCYMQLHZUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N3O.C22H17N3.C22H16N2.C21H15N3.C16H13N3.3C11H7NS.3C10H6N2S.8C2H6/c1-14-23-21(15-7-3-2-4-8-15)25-22(24-14)16-11-12-18-17-9-5-6-10-19(17)26-20(18)13-16;1-16-23-21(19-10-6-3-7-11-19)25-22(24-16)20-14-12-18(13-15-20)17-8-4-2-5-9-17;1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)24-22(23-20)19-14-8-3-9-15-19;1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18;1-12-17-15(13-8-4-2-5-9-13)19-16(18-12)14-10-6-3-7-11-14;1-2-5-9-8(4-1)11-10(13-9)6-3-7-12-11;1-2-4-10-8(3-1)9-7-12-6-5-11(9)13-10;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;8*1-2/h2-13H,1H3;2-15H,1H3;1-16H;1-15H;2-11H,1H3;3*1-7H;3*1-6H;8*1-2H3.

What are the key properties of [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine?

[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine has a molecular weight of 2880.87 g/mol, XLogP of 51.55, 13 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[3,2-b]pyridine;[1]benzothiolo[2,3-c]pyridine;[1]benzothiolo[3,2-c]pyridine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;2-dibenzofuran-3-yl-4-methyl-6-phenyl-1,3,5-triazine;ethane;2-methyl-4,6-diphenyl-1,3,5-triazine;2-methyl-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4,6-triphenylpyrimidine;2,4,6-triphenyl-1,3,5-triazine is sourced from PubChem (CID 157071381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).