6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline

C36H24N2S2 — CID 58099178

IUPAC6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2cc(-c3cccs3)ccc2n1)\c1ccc(/C=C/c2ccc3cc(-c4cccs4)ccc3n2)cc1
InChIInChI=1S/C36H24N2S2/c1-3-35(39-21-1)29-13-19-33-27(23-29)11-17-31(37-33)15-9-25-5-7-26(8-6-25)10-16-32-18-12-28-24-30(14-20-34(28)38-32)36-4-2-22-40-36/h1-24H/b15-9+,16-10+
InChIKeyVXSYCEUCCVOZEG-KAVGSWPWSA-N
MW548.74 g/mol
LogP10.58
Rot. Bonds6

About 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline

6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline (PubChem CID 58099178) has the molecular formula C36H24N2S2 and a molecular weight of 548.74 g/mol. Its IUPAC name is 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline
PubChem CID58099178
Molecular FormulaC36H24N2S2
Molecular Weight548.74 g/mol
Exact Mass548.14
IUPAC Name6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline
SMILESC(=C/c1ccc2cc(-c3cccs3)ccc2n1)\c1ccc(/C=C/c2ccc3cc(-c4cccs4)ccc3n2)cc1
InChIInChI=1S/C36H24N2S2/c1-3-35(39-21-1)29-13-19-33-27(23-29)11-17-31(37-33)15-9-25-5-7-26(8-6-25)10-16-32-18-12-28-24-30(14-20-34(28)38-32)36-4-2-22-40-36/h1-24H/b15-9+,16-10+
InChIKeyVXSYCEUCCVOZEG-KAVGSWPWSA-N
XLogP10.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.74
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline?
The IUPAC name of 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline (CID 58099178) is 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline.
What is the SMILES notation for 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline?
The canonical SMILES for 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline is C(=C/c1ccc2cc(-c3cccs3)ccc2n1)\c1ccc(/C=C/c2ccc3cc(-c4cccs4)ccc3n2)cc1.
What is the InChIKey of 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline?
The InChIKey is VXSYCEUCCVOZEG-KAVGSWPWSA-N. The full InChI is InChI=1S/C36H24N2S2/c1-3-35(39-21-1)29-13-19-33-27(23-29)11-17-31(37-33)15-9-25-5-7-26(8-6-25)10-16-32-18-12-28-24-30(14-20-34(28)38-32)36-4-2-22-40-36/h1-24H/b15-9+,16-10+.
What are the key properties of 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline?
6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline has a molecular weight of 548.74 g/mol, XLogP of 10.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-thiophen-2-yl-2-[(E)-2-[4-[(E)-2-(6-thiophen-2-ylquinolin-2-yl)ethenyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 58099178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).