(E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine

C24H28N4O4S3 — CID 11114190

IUPAC(E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine
SMILESCCN(CC)/C(=C/c1ccc([N+](=O)[O-])s1)c1ccc(/C(=C\c2ccc([N+](=O)[O-])s2)N(CC)CC)s1
InChIInChI=1S/C24H28N4O4S3/c1-5-25(6-2)19(15-17-9-13-23(33-17)27(29)30)21-11-12-22(35-21)20(26(7-3)8-4)16-18-10-14-24(34-18)28(31)32/h9-16H,5-8H2,1-4H3/b19-15+,20-16+
InChIKeyYNXIGEGRHUEHBP-MXWIWYRXSA-N
MW532.71 g/mol
LogP7.37
Rot. Bonds12

About (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine

(E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine (PubChem CID 11114190) has the molecular formula C24H28N4O4S3 and a molecular weight of 532.71 g/mol. Its IUPAC name is (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine.

Molecular Properties

Compound Name(E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine
PubChem CID11114190
Molecular FormulaC24H28N4O4S3
Molecular Weight532.71 g/mol
Exact Mass532.13
IUPAC Name(E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine
SMILESCCN(CC)/C(=C/c1ccc([N+](=O)[O-])s1)c1ccc(/C(=C\c2ccc([N+](=O)[O-])s2)N(CC)CC)s1
InChIInChI=1S/C24H28N4O4S3/c1-5-25(6-2)19(15-17-9-13-23(33-17)27(29)30)21-11-12-22(35-21)20(26(7-3)8-4)16-18-10-14-24(34-18)28(31)32/h9-16H,5-8H2,1-4H3/b19-15+,20-16+
InChIKeyYNXIGEGRHUEHBP-MXWIWYRXSA-N
XLogP7.37
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.71
LogP ≤ 57.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine with MolForge

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Related Compounds

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1-[(E)-1-(5-nitrothiophen-2-yl)hex-1-en-2-yl]pyrrolidine
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1-[5-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]piperidine
CID 85975554
1-[(E)-2-(5-nitrothiophen-2-yl)-1-thiophen-2-ylethenyl]piperidine
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1-[(Z)-2-(5-nitro-2-thienyl)-1-(2-thienyl)vinyl]piperidine
CID 643742
1-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]pyrrolidine
CID 11778429
N-methyl-1-[5-[5-(5-nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]methanamine
CID 121474321
1-[5-[5-(5-Nitrothiophen-2-yl)thiophen-2-yl]thiophen-2-yl]pyrrolidine
CID 10451314
(2S,5S)-1-butyl-3-nitro-2,5-dithiophen-2-yl-2,5-dihydropyrrole
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(5E)-1,2-dimethyl-5-[(5-nitrothiophen-2-yl)methylidene]pyrrolidine
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Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine?
The IUPAC name of (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine (CID 11114190) is (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine.
What is the SMILES notation for (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine?
The canonical SMILES for (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine is CCN(CC)/C(=C/c1ccc([N+](=O)[O-])s1)c1ccc(/C(=C\c2ccc([N+](=O)[O-])s2)N(CC)CC)s1.
What is the InChIKey of (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine?
The InChIKey is YNXIGEGRHUEHBP-MXWIWYRXSA-N. The full InChI is InChI=1S/C24H28N4O4S3/c1-5-25(6-2)19(15-17-9-13-23(33-17)27(29)30)21-11-12-22(35-21)20(26(7-3)8-4)16-18-10-14-24(34-18)28(31)32/h9-16H,5-8H2,1-4H3/b19-15+,20-16+.
What are the key properties of (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine?
(E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine has a molecular weight of 532.71 g/mol, XLogP of 7.37, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-[(E)-1-(diethylamino)-2-(5-nitrothiophen-2-yl)ethenyl]thiophen-2-yl]-N,N-diethyl-2-(5-nitrothiophen-2-yl)ethenamine is sourced from PubChem (CID 11114190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).