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

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

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Related Compounds

4-[3-(6-Methoxy-3-pyridinyl)-2-thiophen-3-yl-1-benzofuran-5-yl]morpholine
CID 24747930
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423810
4-(Furan-3-yl)-2-pyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423829
2-Bromo-5-[5-(4-methoxyphenyl)-2-thiophen-3-yl-1-benzofuran-3-yl]pyridine
CID 44142383
1-(1-Benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1-benzothiophen-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione
CID 144689454
2-[6-(1-Benzothiophen-6-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849211
2-(7-Fluoro-3-methyl-6-thieno[3,2-b]thiophen-6-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849402
2-(7-Fluoro-3-methyl-6-thieno[3,2-b]thiophen-5-yldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 164849435
2-[6-(1-Benzothiophen-5-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 164849901
2-[6-[4-(2,3-Dihydro-1-benzothiophen-2-yl)phenyl]-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037604
2-[6-(5-Cyclohexylthiophen-2-yl)-7-fluoro-3-methyldibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166037966
2-[7-Fluoro-3-methyl-6-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166051332

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).