5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane

C34H26O3S — CID 143851118

IUPAC5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane
SMILESCC.Oc1cc(-c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)o2)ccc1-c1cc2ccccc2s1
InChIInChI=1S/C32H20O3S.C2H6/c33-26-17-23(13-14-25(26)32-19-24-6-2-4-8-31(24)36-32)29-16-15-28(34-29)20-9-11-21(12-10-20)30-18-22-5-1-3-7-27(22)35-30;1-2/h1-19,33H;1-2H3
InChIKeyXQZNMJNCAWHJJF-UHFFFAOYSA-N
MW514.65 g/mol
LogP10.64
Rot. Bonds4

About 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane

5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane (PubChem CID 143851118) has the molecular formula C34H26O3S and a molecular weight of 514.65 g/mol. Its IUPAC name is 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane.

Molecular Properties

Compound Name5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane
PubChem CID143851118
Molecular FormulaC34H26O3S
Molecular Weight514.65 g/mol
Exact Mass514.16
IUPAC Name5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane
SMILESCC.Oc1cc(-c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)o2)ccc1-c1cc2ccccc2s1
InChIInChI=1S/C32H20O3S.C2H6/c33-26-17-23(13-14-25(26)32-19-24-6-2-4-8-31(24)36-32)29-16-15-28(34-29)20-9-11-21(12-10-20)30-18-22-5-1-3-7-27(22)35-30;1-2/h1-19,33H;1-2H3
InChIKeyXQZNMJNCAWHJJF-UHFFFAOYSA-N
XLogP10.64
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 510.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-benzothiophen-2-yl)phenyl]-5-(4-naphthalen-1-ylphenyl)furan
CID 143850854
2-[4-[5-(4-naphthalen-1-ylphenyl)furan-2-yl]phenyl]-1-benzofuran
CID 143851022
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
5-(1-benzofuran-2-yl)-3-fluoro-2-propan-2-ylphenol
CID 170781894
2-[4-(4-methoxyphenyl)phenyl]-1-benzofuran
CID 141017099
4-(1-benzofuran-2-yl)-N-ethylaniline
CID 54143610
2-[3-[7-[4-(1-benzofuran-2-yl)phenyl]-[1]benzothiolo[3,2-b][1]benzothiol-2-yl]phenyl]-1-benzofuran
CID 138646488
N-[4-(1-benzofuran-2-yl)phenyl]-N-[4-(1-benzothiophen-2-yl)phenyl]-4-(2-naphthalen-2-yl-1,3-benzoxazol-6-yl)aniline
CID 170716754
7-[4-(2-phenyl-1-benzothiophen-5-yl)phenyl]-2-[4-(2-phenyl-1-benzothiophen-6-yl)phenyl]-[1]benzofuro[6,5-f][1]benzofuran
CID 167099939
2-[4-(5,5,15,15,22,25,25-heptamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl)phenyl]-1-benzofuran
CID 59413380
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
5-(1-benzofuran-2-yl)-2-methylbenzenethiol
CID 71213605

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane?
The IUPAC name of 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane (CID 143851118) is 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane.
What is the SMILES notation for 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane?
The canonical SMILES for 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane is CC.Oc1cc(-c2ccc(-c3ccc(-c4cc5ccccc5o4)cc3)o2)ccc1-c1cc2ccccc2s1.
What is the InChIKey of 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane?
The InChIKey is XQZNMJNCAWHJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O3S.C2H6/c33-26-17-23(13-14-25(26)32-19-24-6-2-4-8-31(24)36-32)29-16-15-28(34-29)20-9-11-21(12-10-20)30-18-22-5-1-3-7-27(22)35-30;1-2/h1-19,33H;1-2H3.
What are the key properties of 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane?
5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane has a molecular weight of 514.65 g/mol, XLogP of 10.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(1-benzofuran-2-yl)phenyl]furan-2-yl]-2-(1-benzothiophen-2-yl)phenol;ethane is sourced from PubChem (CID 143851118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).