5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde

C18H12N2O2S2 — CID 102347965

IUPAC5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1[nH]c(-c2cc(-c3cccs3)c(C=O)[nH]2)cc1-c1cccs1
InChIInChI=1S/C18H12N2O2S2/c21-9-15-11(17-3-1-5-23-17)7-13(19-15)14-8-12(16(10-22)20-14)18-4-2-6-24-18/h1-10,19-20H
InChIKeyGDNKGKBDCUWHSJ-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.09
Rot. Bonds5

About 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde

5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde (PubChem CID 102347965) has the molecular formula C18H12N2O2S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
PubChem CID102347965
Molecular FormulaC18H12N2O2S2
Molecular Weight352.44 g/mol
Exact Mass352.03
IUPAC Name5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1[nH]c(-c2cc(-c3cccs3)c(C=O)[nH]2)cc1-c1cccs1
InChIInChI=1S/C18H12N2O2S2/c21-9-15-11(17-3-1-5-23-17)7-13(19-15)14-8-12(16(10-22)20-14)18-4-2-6-24-18/h1-10,19-20H
InChIKeyGDNKGKBDCUWHSJ-UHFFFAOYSA-N
XLogP5.09
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-thiophen-2-ylbenzaldehyde
CID 53220277
3-thiophen-2-ylpyridine-2-carbaldehyde
CID 86594751
4-formyl-3-thiophen-2-ylbenzonitrile
CID 54376113
2-(4-thiophen-2-ylnaphthalen-1-yl)thiophene
CID 824513
2-methoxy-3-thiophen-2-ylbenzaldehyde
CID 172649789
5-hydroxy-4-methoxy-2-thiophen-2-ylbenzaldehyde
CID 16768819
4-hydroxy-3-methoxy-5-thiophen-2-ylbenzaldehyde
CID 16768660
2-oxo-6-pyridin-4-yl-4-thiophen-2-yl-1H-pyridine-3-carbonitrile
CID 13088650
4-sulfanylidene-6-thiophen-2-yl-1H-pyrimidin-2-one
CID 121206455
1-ethyl-3-thiophen-2-ylpyrrole-2-carbaldehyde
CID 125456045
3,6-dithiophen-2-ylbenzene-1,2-diol
CID 122606222
2-thiophen-2-ylcyclohepta-2,4,6-trien-1-one
CID 142643105

Frequently Asked Questions

What is the IUPAC name of 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde (CID 102347965) is 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde is O=Cc1[nH]c(-c2cc(-c3cccs3)c(C=O)[nH]2)cc1-c1cccs1.
What is the InChIKey of 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
The InChIKey is GDNKGKBDCUWHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O2S2/c21-9-15-11(17-3-1-5-23-17)7-13(19-15)14-8-12(16(10-22)20-14)18-4-2-6-24-18/h1-10,19-20H.
What are the key properties of 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde?
5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde has a molecular weight of 352.44 g/mol, XLogP of 5.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-formyl-4-thiophen-2-yl-1H-pyrrol-2-yl)-3-thiophen-2-yl-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 102347965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).