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

C37H23NO2S — CID 141001622

IUPAC2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3cc4ccccc4o3)c(-c3cccc4ccccc34)c(-c3cccs3)c2-c2ccco2)nc1
InChIInChI=1S/C37H23NO2S/c1-3-13-26-24(10-1)12-7-14-27(26)35-29(33-22-25-11-2-4-16-31(25)40-33)23-28(30-15-5-6-19-38-30)36(32-17-8-20-39-32)37(35)34-18-9-21-41-34/h1-23H
InChIKeyWEGCNHMQECDLSG-UHFFFAOYSA-N
MW545.66 g/mol
LogP10.97
Rot. Bonds5

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

2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine (PubChem CID 141001622) has the molecular formula C37H23NO2S and a molecular weight of 545.66 g/mol. Its IUPAC name is 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine.

Molecular Properties

Compound Name2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine
PubChem CID141001622
Molecular FormulaC37H23NO2S
Molecular Weight545.66 g/mol
Exact Mass545.14
IUPAC Name2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine
SMILESc1ccc(-c2cc(-c3cc4ccccc4o3)c(-c3cccc4ccccc34)c(-c3cccs3)c2-c2ccco2)nc1
InChIInChI=1S/C37H23NO2S/c1-3-13-26-24(10-1)12-7-14-27(26)35-29(33-22-25-11-2-4-16-31(25)40-33)23-28(30-15-5-6-19-38-30)36(32-17-8-20-39-32)37(35)34-18-9-21-41-34/h1-23H
InChIKeyWEGCNHMQECDLSG-UHFFFAOYSA-N
XLogP10.97
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.66
LogP ≤ 510.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine?
The IUPAC name of 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine (CID 141001622) is 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine.
What is the SMILES notation for 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine?
The canonical SMILES for 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine is c1ccc(-c2cc(-c3cc4ccccc4o3)c(-c3cccc4ccccc34)c(-c3cccs3)c2-c2ccco2)nc1.
What is the InChIKey of 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine?
The InChIKey is WEGCNHMQECDLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H23NO2S/c1-3-13-26-24(10-1)12-7-14-27(26)35-29(33-22-25-11-2-4-16-31(25)40-33)23-28(30-15-5-6-19-38-30)36(32-17-8-20-39-32)37(35)34-18-9-21-41-34/h1-23H.
What are the key properties of 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine?
2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine has a molecular weight of 545.66 g/mol, XLogP of 10.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-benzofuran-2-yl)-2-(furan-2-yl)-4-naphthalen-1-yl-3-thiophen-2-ylphenyl]pyridine is sourced from PubChem (CID 141001622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).