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

C42H24O3S2 — CID 141190757

IUPAC2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran
SMILESc1coc(-c2c(-c3cccc4ccccc34)cc3sc(-c4cccs4)c(-c4coc5ccccc45)c3c2-c2cc3ccccc3o2)c1
InChIInChI=1S/C42H24O3S2/c1-3-13-27-25(10-1)12-7-15-28(27)30-23-37-41(40(38(30)34-18-8-20-43-34)35-22-26-11-2-5-16-32(26)45-35)39(42(47-37)36-19-9-21-46-36)31-24-44-33-17-6-4-14-29(31)33/h1-24H
InChIKeyLZJKFITXOMZHKK-UHFFFAOYSA-N
MW640.79 g/mol
LogP13.54
Rot. Bonds5

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

2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran (PubChem CID 141190757) has the molecular formula C42H24O3S2 and a molecular weight of 640.79 g/mol. Its IUPAC name is 2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran.

Molecular Properties

Compound Name2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran
PubChem CID141190757
Molecular FormulaC42H24O3S2
Molecular Weight640.79 g/mol
Exact Mass640.12
IUPAC Name2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran
SMILESc1coc(-c2c(-c3cccc4ccccc34)cc3sc(-c4cccs4)c(-c4coc5ccccc45)c3c2-c2cc3ccccc3o2)c1
InChIInChI=1S/C42H24O3S2/c1-3-13-27-25(10-1)12-7-15-28(27)30-23-37-41(40(38(30)34-18-8-20-43-34)35-22-26-11-2-5-16-32(26)45-35)39(42(47-37)36-19-9-21-46-36)31-24-44-33-17-6-4-14-29(31)33/h1-24H
InChIKeyLZJKFITXOMZHKK-UHFFFAOYSA-N
XLogP13.54
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 513.54
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-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
1-[10-(furan-2-yl)anthracen-9-yl]-8-(10-thiophen-2-ylanthracen-9-yl)dibenzofuran
CID 166706189
2-(10-thiophen-2-ylanthracen-9-yl)furan
CID 163364351
2-(furan-2-yl)-4-naphthalen-1-yl-5-phenyl-3-thiophen-2-yl-1H-pyrrole
CID 141196751
3-(furan-2-yl)-2-thiophen-2-ylchromen-4-one
CID 141451140
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-naphthalen-1-ylanthracen-9-yl)thiophene
CID 89341887
4-(1-benzofuran-2-yl)-2-(furan-2-yl)-1,3-thiazole
CID 32500831
2-[2-[8-[3-(1-benzofuran-2-yl)-1-benzothiophen-2-yl]benzo[a]tetracen-13-yl]-1-benzothiophen-3-yl]-1-benzofuran
CID 129133068
3-[2-(10-naphtho[2,3-b][1]benzothiol-1-ylanthracen-9-yl)phenyl]-1-benzofuran
CID 170212343

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran?
The IUPAC name of 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) is 2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran.
What is the SMILES notation for 2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran?
The canonical SMILES for 2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran is c1coc(-c2c(-c3cccc4ccccc34)cc3sc(-c4cccs4)c(-c4coc5ccccc45)c3c2-c2cc3ccccc3o2)c1.
What is the InChIKey of 2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran?
The InChIKey is LZJKFITXOMZHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24O3S2/c1-3-13-27-25(10-1)12-7-15-28(27)30-23-37-41(40(38(30)34-18-8-20-43-34)35-22-26-11-2-5-16-32(26)45-35)39(42(47-37)36-19-9-21-46-36)31-24-44-33-17-6-4-14-29(31)33/h1-24H.
What are the key properties of 2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran?
2-[3-(1-benzofuran-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran has a molecular weight of 640.79 g/mol, XLogP of 13.54, 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-3-yl)-5-(furan-2-yl)-6-naphthalen-1-yl-2-thiophen-2-yl-1-benzothiophen-4-yl]-1-benzofuran is sourced from PubChem (CID 141190757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).