2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine

C35H21NO3S — CID 141096355

IUPAC2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccs3)c(-c3coc4ccccc34)c(-c3cc4ccccc4o3)c2-c2ccco2)nc1
InChIInChI=1S/C35H21NO3S/c1-3-12-28-22(9-1)19-31(39-28)35-33(26-21-38-29-13-4-2-10-23(26)29)25(32-15-8-18-40-32)20-24(27-11-5-6-16-36-27)34(35)30-14-7-17-37-30/h1-21H
InChIKeyVGYIPJQZKQBDLB-UHFFFAOYSA-N
MW535.62 g/mol
LogP10.56
Rot. Bonds5

About 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine

2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine (PubChem CID 141096355) has the molecular formula C35H21NO3S and a molecular weight of 535.62 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine
PubChem CID141096355
Molecular FormulaC35H21NO3S
Molecular Weight535.62 g/mol
Exact Mass535.12
IUPAC Name2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3cccs3)c(-c3coc4ccccc34)c(-c3cc4ccccc4o3)c2-c2ccco2)nc1
InChIInChI=1S/C35H21NO3S/c1-3-12-28-22(9-1)19-31(39-28)35-33(26-21-38-29-13-4-2-10-23(26)29)25(32-15-8-18-40-32)20-24(27-11-5-6-16-36-27)34(35)30-14-7-17-37-30/h1-21H
InChIKeyVGYIPJQZKQBDLB-UHFFFAOYSA-N
XLogP10.56
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.62
LogP ≤ 510.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
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
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
CID 141275777
2-(10-thiophen-2-ylanthracen-9-yl)furan
CID 163364351
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831
3-(furan-2-yl)-2-thiophen-2-ylchromen-4-one
CID 141451140
5-(1-benzofuran-2-yl)-4-thiophen-2-yl-1H-pyrazol-3-amine
CID 62503235
2-[2-(furan-2-yl)phenyl]pyridine
CID 168525808
3-(1-benzofuran-2-yl)-1-methyl-4-thiophen-2-ylpyrazol-5-amine
CID 62503065
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
platinum;bis(2-thiophen-2-ylpyridine)
CID 87764255
5-(furan-2-yl)-2-pyridin-2-yl-3-(1H-pyrrol-2-yl)-4-thiophen-2-yl-1H-indole
CID 141048940

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine?
The IUPAC name of 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine (CID 141096355) is 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine?
The canonical SMILES for 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine is c1ccc(-c2cc(-c3cccs3)c(-c3coc4ccccc34)c(-c3cc4ccccc4o3)c2-c2ccco2)nc1.
What is the InChIKey of 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine?
The InChIKey is VGYIPJQZKQBDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H21NO3S/c1-3-12-28-22(9-1)19-31(39-28)35-33(26-21-38-29-13-4-2-10-23(26)29)25(32-15-8-18-40-32)20-24(27-11-5-6-16-36-27)34(35)30-14-7-17-37-30/h1-21H.
What are the key properties of 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine?
2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine has a molecular weight of 535.62 g/mol, XLogP of 10.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine is sourced from PubChem (CID 141096355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).