[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
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC[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
SMILESCC.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
InChIInChI=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
InChIKeyACLYCYMQLHZUEU-UHFFFAOYSA-N
MW2880.87 g/mol
LogP51.55
Rot. Bonds13
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 Donors | |
| 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).
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Sources
- PubChem CID 157071381 — identifiers, structure, computed properties (public domain)
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