4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole

C39H22N6O2S — CID 141116198

IUPAC4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole
SMILESc1ccc2oc(-c3c(-c4ccnnn4)c(-c4cnccn4)cc4[nH]c(-c5cc6ccccc6s5)c(-c5occ6ccccc56)c34)cc2c1
InChIInChI=1S/C39H22N6O2S/c1-4-10-25-24(9-1)21-46-39(25)37-35-28(43-38(37)33-18-23-8-3-6-12-32(23)48-33)19-26(29-20-40-15-16-41-29)34(27-13-14-42-45-44-27)36(35)31-17-22-7-2-5-11-30(22)47-31/h1-21,43H
InChIKeyGMRORPFZPHPLID-UHFFFAOYSA-N
MW638.71 g/mol
LogP10.19
Rot. Bonds5

About 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole

4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole (PubChem CID 141116198) has the molecular formula C39H22N6O2S and a molecular weight of 638.71 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole
PubChem CID141116198
Molecular FormulaC39H22N6O2S
Molecular Weight638.71 g/mol
Exact Mass638.15
IUPAC Name4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole
SMILESc1ccc2oc(-c3c(-c4ccnnn4)c(-c4cnccn4)cc4[nH]c(-c5cc6ccccc6s5)c(-c5occ6ccccc56)c34)cc2c1
InChIInChI=1S/C39H22N6O2S/c1-4-10-25-24(9-1)21-46-39(25)37-35-28(43-38(37)33-18-23-8-3-6-12-32(23)48-33)19-26(29-20-40-15-16-41-29)34(27-13-14-42-45-44-27)36(35)31-17-22-7-2-5-11-30(22)47-31/h1-21,43H
InChIKeyGMRORPFZPHPLID-UHFFFAOYSA-N
XLogP10.19
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.71
LogP ≤ 510.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole with MolForge

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Related Compounds

1-[6-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-pyrazin-2-yl-7-quinolin-2-yl-2-benzofuran-1-yl]isoquinoline
CID 141080144
2-[3-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-4-(1H-indol-2-yl)-5-pyrazin-2-ylphenyl]-1H-benzimidazole
CID 141050991
2-[5-(1-benzothiophen-2-yl)-3-isoquinolin-1-yl-6-pyrazin-2-yl-7-pyrimidin-2-yl-4-quinolin-2-yl-1H-indol-2-yl]quinoxaline
CID 141152611
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline
CID 170716754
2-[3-(1H-benzimidazol-2-yl)-5-(1-benzofuran-2-yl)-4-(1-benzothiophen-2-yl)-6-(1H-indol-2-yl)quinolin-2-yl]-1,3-benzothiazole
CID 141050959
4-[6-(1-benzofuran-2-yl)-3,8-di(isoquinolin-4-yl)pyren-1-yl]isoquinoline;2-[6-(1-benzofuran-2-yl)-3-(4-methylphenyl)-8-phenylpyren-1-yl]-1-benzofuran;2-[3,6,8-tris(1-benzothiophen-2-yl)pyren-1-yl]-1-benzofuran;2-[3,6,8-tris(furan-2-yl)pyren-1-yl]-1-benzofuran
CID 162234485
2-[1-(1-benzofuran-2-yl)-3-(1H-indol-2-yl)-4-pyridazin-3-yl-7-pyridin-2-yl-6-pyrimidin-2-yldibenzofuran-2-yl]quinoline
CID 141179419
1-(1-benzofuran-2-yl)-3-pyridin-3-ylbenzo[f]quinoline
CID 15271377
4-(1-benzothiophen-2-yl)-2-bromo-1,3-oxazole
CID 102974597
2-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-5-(1-benzothiophen-2-yl)-4-(1H-indazol-3-yl)-7-(1H-indol-2-yl)-1,3-benzothiazole
CID 141189608
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
5-[4-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-5-(furan-2-yl)-3-thiophen-2-ylpyrrol-1-yl]-1H-tetrazole
CID 141051880

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole?
The IUPAC name of 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole (CID 141116198) is 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole is c1ccc2oc(-c3c(-c4ccnnn4)c(-c4cnccn4)cc4[nH]c(-c5cc6ccccc6s5)c(-c5occ6ccccc56)c34)cc2c1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole?
The InChIKey is GMRORPFZPHPLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H22N6O2S/c1-4-10-25-24(9-1)21-46-39(25)37-35-28(43-38(37)33-18-23-8-3-6-12-32(23)48-33)19-26(29-20-40-15-16-41-29)34(27-13-14-42-45-44-27)36(35)31-17-22-7-2-5-11-30(22)47-31/h1-21,43H.
What are the key properties of 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole?
4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole has a molecular weight of 638.71 g/mol, XLogP of 10.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-3-(2-benzofuran-1-yl)-2-(1-benzothiophen-2-yl)-6-pyrazin-2-yl-5-(triazin-4-yl)-1H-indole is sourced from PubChem (CID 141116198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).