5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde

C21H18O2S4 — CID 102449086

IUPAC5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde
SMILESCOc1ccc(-c2sc(-c3sc(-c4sc(C=O)cc4C)cc3C)cc2C)s1
InChIInChI=1S/C21H18O2S4/c1-11-7-14(10-22)24-20(11)16-9-13(3)21(27-16)17-8-12(2)19(26-17)15-5-6-18(23-4)25-15/h5-10H,1-4H3
InChIKeyCCPFRJSQIVPSIC-UHFFFAOYSA-N
MW430.64 g/mol
LogP7.68
Rot. Bonds5

About 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde

5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde (PubChem CID 102449086) has the molecular formula C21H18O2S4 and a molecular weight of 430.64 g/mol. Its IUPAC name is 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde
PubChem CID102449086
Molecular FormulaC21H18O2S4
Molecular Weight430.64 g/mol
Exact Mass430.02
IUPAC Name5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde
SMILESCOc1ccc(-c2sc(-c3sc(-c4sc(C=O)cc4C)cc3C)cc2C)s1
InChIInChI=1S/C21H18O2S4/c1-11-7-14(10-22)24-20(11)16-9-13(3)21(27-16)17-8-12(2)19(26-17)15-5-6-18(23-4)25-15/h5-10H,1-4H3
InChIKeyCCPFRJSQIVPSIC-UHFFFAOYSA-N
XLogP7.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.64
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde?
The IUPAC name of 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde (CID 102449086) is 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde.
What is the SMILES notation for 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde?
The canonical SMILES for 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde is COc1ccc(-c2sc(-c3sc(-c4sc(C=O)cc4C)cc3C)cc2C)s1.
What is the InChIKey of 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde?
The InChIKey is CCPFRJSQIVPSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2S4/c1-11-7-14(10-22)24-20(11)16-9-13(3)21(27-16)17-8-12(2)19(26-17)15-5-6-18(23-4)25-15/h5-10H,1-4H3.
What are the key properties of 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde?
5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde has a molecular weight of 430.64 g/mol, XLogP of 7.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-(5-methoxythiophen-2-yl)-4-methylthiophen-2-yl]-4-methylthiophen-2-yl]-4-methylthiophene-2-carbaldehyde is sourced from PubChem (CID 102449086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).