1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine

C20H16N2O2S4 — CID 10433606

IUPAC1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc(N5CCCC5)s4)s3)s2)s1
InChIInChI=1S/C20H16N2O2S4/c23-22(24)20-10-8-18(28-20)16-6-4-14(26-16)13-3-5-15(25-13)17-7-9-19(27-17)21-11-1-2-12-21/h3-10H,1-2,11-12H2
InChIKeySZIHHYJUQSEZIP-UHFFFAOYSA-N
MW444.63 g/mol
LogP7.44
Rot. Bonds5

About 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine

1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine (PubChem CID 10433606) has the molecular formula C20H16N2O2S4 and a molecular weight of 444.63 g/mol. Its IUPAC name is 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine.

Molecular Properties

Compound Name1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine
PubChem CID10433606
Molecular FormulaC20H16N2O2S4
Molecular Weight444.63 g/mol
Exact Mass444.01
IUPAC Name1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine
SMILESO=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc(N5CCCC5)s4)s3)s2)s1
InChIInChI=1S/C20H16N2O2S4/c23-22(24)20-10-8-18(28-20)16-6-4-14(26-16)13-3-5-15(25-13)17-7-9-19(27-17)21-11-1-2-12-21/h3-10H,1-2,11-12H2
InChIKeySZIHHYJUQSEZIP-UHFFFAOYSA-N
XLogP7.44
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Dimethylamino-5'-nitro-2,2-bithiophene
CID 15191002
1-[5-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]piperidine
CID 85975554
1-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]pyrrolidine
CID 11778429
1-[5-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine
CID 10451314
Diethyl[5-(5-nitro(2-thienyl))(2-thienyl)]amine
CID 28062016
2-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]-5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophene
CID 85665226
1-[5-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]pyrrolidine
CID 101928946
2,5-Bis[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophene
CID 177521410
N,N-dimethyl-5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-amine
CID 177530477
2-(5-Nitrothiophen-2-yl)-5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophene
CID 177530850

Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine?
The IUPAC name of 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine (CID 10433606) is 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine.
What is the SMILES notation for 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine?
The canonical SMILES for 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine is O=[N+]([O-])c1ccc(-c2ccc(-c3ccc(-c4ccc(N5CCCC5)s4)s3)s2)s1.
What is the InChIKey of 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine?
The InChIKey is SZIHHYJUQSEZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S4/c23-22(24)20-10-8-18(28-20)16-6-4-14(26-16)13-3-5-15(25-13)17-7-9-19(27-17)21-11-1-2-12-21/h3-10H,1-2,11-12H2.
What are the key properties of 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine?
1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine has a molecular weight of 444.63 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]pyrrolidine is sourced from PubChem (CID 10433606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).