2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole

C38H23NO3S2 — CID 141275777

IUPAC2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
SMILESc1coc(-c2c(-c3cc4ccccc4[nH]3)c(-c3cccs3)c(-c3cccs3)c(-c3cc4ccccc4o3)c2-c2ccco2)c1
InChIInChI=1S/C38H23NO3S2/c1-3-11-25-23(9-1)21-26(39-25)33-34(28-13-5-17-40-28)35(29-14-6-18-41-29)36(30-22-24-10-2-4-12-27(24)42-30)38(32-16-8-20-44-32)37(33)31-15-7-19-43-31/h1-22,39H
InChIKeyXHXCZMTVVLCQRY-UHFFFAOYSA-N
MW605.74 g/mol
LogP12.23
Rot. Bonds6

About 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole

2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole (PubChem CID 141275777) has the molecular formula C38H23NO3S2 and a molecular weight of 605.74 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
PubChem CID141275777
Molecular FormulaC38H23NO3S2
Molecular Weight605.74 g/mol
Exact Mass605.11
IUPAC Name2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
SMILESc1coc(-c2c(-c3cc4ccccc4[nH]3)c(-c3cccs3)c(-c3cccs3)c(-c3cc4ccccc4o3)c2-c2ccco2)c1
InChIInChI=1S/C38H23NO3S2/c1-3-11-25-23(9-1)21-26(39-25)33-34(28-13-5-17-40-28)35(29-14-6-18-41-29)36(30-22-24-10-2-4-12-27(24)42-30)38(32-16-8-20-44-32)37(33)31-15-7-19-43-31/h1-22,39H
InChIKeyXHXCZMTVVLCQRY-UHFFFAOYSA-N
XLogP12.23
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.74
LogP ≤ 512.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole with MolForge

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Related Compounds

2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran
CID 141190760
4-[2-(1-benzothiophen-2-yl)-4-(furan-2-yl)-6-(1H-indol-2-yl)-3-thiophen-2-yl-1-benzofuran-5-yl]-1H-benzotriazole
CID 141105122
5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62503235
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
2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine
CID 141096355
2-(furan-2-yl)-5-thiophen-2-yl-1H-pyrrole
CID 126723370
2-(10-thiophen-2-ylanthracen-9-yl)furan
CID 163364351
2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran
CID 141190757
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831
3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62503065
3-(furan-2-yl)-2-thiophen-2-ylchromen-4-one
CID 141451140
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole (CID 141275777) is 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole is c1coc(-c2c(-c3cc4ccccc4[nH]3)c(-c3cccs3)c(-c3cccs3)c(-c3cc4ccccc4o3)c2-c2ccco2)c1.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole?
The InChIKey is XHXCZMTVVLCQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23NO3S2/c1-3-11-25-23(9-1)21-26(39-25)33-34(28-13-5-17-40-28)35(29-14-6-18-41-29)36(30-22-24-10-2-4-12-27(24)42-30)38(32-16-8-20-44-32)37(33)31-15-7-19-43-31/h1-22,39H.
What are the key properties of 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole?
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole has a molecular weight of 605.74 g/mol, XLogP of 12.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole is sourced from PubChem (CID 141275777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).