2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran

C46H28O3S — CID 141190760

IUPAC2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran
SMILESc1ccc(-c2c(-c3cccs3)c(-c3coc4ccccc34)c(-c3cc4ccccc4o3)c(-c3ccco3)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C46H28O3S/c1-2-14-30(15-3-1)41-42(34-20-10-17-29-13-4-6-18-32(29)34)44(38-23-11-25-47-38)45(39-27-31-16-5-8-21-36(31)49-39)43(46(41)40-24-12-26-50-40)35-28-48-37-22-9-7-19-33(35)37/h1-28H
InChIKeyUEWYAGZMXLAQMD-UHFFFAOYSA-N
MW660.79 g/mol
LogP13.99
Rot. Bonds6

About 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran

2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran (PubChem CID 141190760) has the molecular formula C46H28O3S and a molecular weight of 660.79 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran.

Molecular Properties

Compound Name2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran
PubChem CID141190760
Molecular FormulaC46H28O3S
Molecular Weight660.79 g/mol
Exact Mass660.18
IUPAC Name2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran
SMILESc1ccc(-c2c(-c3cccs3)c(-c3coc4ccccc34)c(-c3cc4ccccc4o3)c(-c3ccco3)c2-c2cccc3ccccc23)cc1
InChIInChI=1S/C46H28O3S/c1-2-14-30(15-3-1)41-42(34-20-10-17-29-13-4-6-18-32(29)34)44(38-23-11-25-47-38)45(39-27-31-16-5-8-21-36(31)49-39)43(46(41)40-24-12-26-50-40)35-28-48-37-22-9-7-19-33(35)37/h1-28H
InChIKeyUEWYAGZMXLAQMD-UHFFFAOYSA-N
XLogP13.99
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500660.79
LogP ≤ 513.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[3-(1-benzofuran-2-yl)-4-(1-benzofuran-3-yl)-2-(furan-2-yl)-5-thiophen-2-ylphenyl]pyridine
CID 141096355
2-[4-(1-benzofuran-2-yl)-2,3-bis(furan-2-yl)-5,6-dithiophen-2-ylphenyl]-1H-indole
CID 141275777
2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole
CID 141196751
1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran
CID 166706189
2-(10-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
3-(furan-2-yl)-2-thiophen-2-ylchromen-4-one
CID 141451140
2-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]-1-benzofuran;2-[4-(10-naphthalen-1-ylanthracen-9-yl)phenyl]-1-benzofuran;bis(2-[3-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzofuran);2-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]-1-benzofuran
CID 157111985
2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
CID 143851022
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-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]furan;2-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene;3-[10-[7-(10-phenylanthracen-9-yl)dibenzoselenophen-4-yl]anthracen-9-yl]thiophene
CID 157493186
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran?
The IUPAC name of 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran (CID 141190760) is 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran.
What is the SMILES notation for 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran?
The canonical SMILES for 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran is c1ccc(-c2c(-c3cccs3)c(-c3coc4ccccc34)c(-c3cc4ccccc4o3)c(-c3ccco3)c2-c2cccc3ccccc23)cc1.
What is the InChIKey of 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran?
The InChIKey is UEWYAGZMXLAQMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28O3S/c1-2-14-30(15-3-1)41-42(34-20-10-17-29-13-4-6-18-32(29)34)44(38-23-11-25-47-38)45(39-27-31-16-5-8-21-36(31)49-39)43(46(41)40-24-12-26-50-40)35-28-48-37-22-9-7-19-33(35)37/h1-28H.
What are the key properties of 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran?
2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran has a molecular weight of 660.79 g/mol, XLogP of 13.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-3-yl)-6-(furan-2-yl)-5-naphthalen-1-yl-4-phenyl-3-thiophen-2-ylphenyl]-1-benzofuran is sourced from PubChem (CID 141190760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).