5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde

C26H14O4S4 — CID 170901047

IUPAC5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccc(C=O)s3)c(-c3ccc(C=O)s3)cc2-c2ccc(C=O)s2)s1
InChIInChI=1S/C26H14O4S4/c27-11-15-1-5-23(31-15)19-9-21(25-7-3-17(13-29)33-25)22(26-8-4-18(14-30)34-26)10-20(19)24-6-2-16(12-28)32-24/h1-14H
InChIKeyDLYJFWXBWUPMRK-UHFFFAOYSA-N
MW518.66 g/mol
LogP7.85
Rot. Bonds8

About 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde

5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde (PubChem CID 170901047) has the molecular formula C26H14O4S4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
PubChem CID170901047
Molecular FormulaC26H14O4S4
Molecular Weight518.66 g/mol
Exact Mass517.98
IUPAC Name5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(-c3ccc(C=O)s3)c(-c3ccc(C=O)s3)cc2-c2ccc(C=O)s2)s1
InChIInChI=1S/C26H14O4S4/c27-11-15-1-5-23(31-15)19-9-21(25-7-3-17(13-29)33-25)22(26-8-4-18(14-30)34-26)10-20(19)24-6-2-16(12-28)32-24/h1-14H
InChIKeyDLYJFWXBWUPMRK-UHFFFAOYSA-N
XLogP7.85
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.66
LogP ≤ 57.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2-aminophenyl)thiophene-2-carbaldehyde
CID 83395095
5-(5-fluoro-2-methylphenyl)thiophene-2-carbaldehyde
CID 43153940
5-(2,5-difluoro-4-methylphenyl)thiophene-2-carbaldehyde
CID 103586904
5-(2,3-dichlorophenyl)thiophene-2-carbaldehyde
CID 25247619
5-(4-bromo-2,3-dichlorophenyl)thiophene-2-carbaldehyde
CID 107792476
5-(2,3,5,6-tetramethylphenyl)thiophene-2-carbaldehyde
CID 82478736
5-(3,4,5-trifluorophenyl)thiophene-2-carbaldehyde
CID 62812029
5-[4-bromo-2-(trifluoromethyl)phenyl]thiophene-2-carbaldehyde
CID 60792719
5-(3,4-difluorophenyl)thiophene-2-carbaldehyde
CID 43153943
5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde
CID 53229257
5-(3-fluorophenyl)thiophene-2-carbaldehyde
CID 3578053
5-(furan-3-yl)thiophene-2-carbaldehyde
CID 141362876

Frequently Asked Questions

What is the IUPAC name of 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde (CID 170901047) is 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2cc(-c3ccc(C=O)s3)c(-c3ccc(C=O)s3)cc2-c2ccc(C=O)s2)s1.
What is the InChIKey of 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde?
The InChIKey is DLYJFWXBWUPMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14O4S4/c27-11-15-1-5-23(31-15)19-9-21(25-7-3-17(13-29)33-25)22(26-8-4-18(14-30)34-26)10-20(19)24-6-2-16(12-28)32-24/h1-14H.
What are the key properties of 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde?
5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde has a molecular weight of 518.66 g/mol, XLogP of 7.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,4,5-tris(5-formylthiophen-2-yl)phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 170901047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).