2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline

C32H20N2S4 — CID 66867019

IUPAC2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline
SMILESC(=Cc1ccc(-c2cccs2)s1)c1ccc2ccc3ccc(C=Cc4ccc(-c5cccs5)s4)nc3c2n1
InChIInChI=1S/C32H20N2S4/c1-3-27(35-19-1)29-17-15-25(37-29)13-11-23-9-7-21-5-6-22-8-10-24(34-32(22)31(21)33-23)12-14-26-16-18-30(38-26)28-4-2-20-36-28/h1-20H
InChIKeyVIWAZDGJXLJXET-UHFFFAOYSA-N
MW560.79 g/mol
LogP10.70
Rot. Bonds6

About 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline

2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline (PubChem CID 66867019) has the molecular formula C32H20N2S4 and a molecular weight of 560.79 g/mol. Its IUPAC name is 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline.

Molecular Properties

Compound Name2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline
PubChem CID66867019
Molecular FormulaC32H20N2S4
Molecular Weight560.79 g/mol
Exact Mass560.05
IUPAC Name2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline
SMILESC(=Cc1ccc(-c2cccs2)s1)c1ccc2ccc3ccc(C=Cc4ccc(-c5cccs5)s4)nc3c2n1
InChIInChI=1S/C32H20N2S4/c1-3-27(35-19-1)29-17-15-25(37-29)13-11-23-9-7-21-5-6-22-8-10-24(34-32(22)31(21)33-23)12-14-26-16-18-30(38-26)28-4-2-20-36-28/h1-20H
InChIKeyVIWAZDGJXLJXET-UHFFFAOYSA-N
XLogP10.70
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.79
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline with MolForge

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

Launch Full Analysis

Related Compounds

2-prop-1-enyl-5-thiophen-2-ylthiophene
CID 54395841
2-[(Z)-prop-1-enyl]-5-thiophen-2-ylthiophene
CID 67628912
2-(5-methylthiophen-2-yl)-5-[5-[(E)-2-[5-(2-thiophen-2-ylthieno[3,2-b]thiophen-5-yl)thiophen-2-yl]ethenyl]thiophen-2-yl]thieno[3,2-b]thiophene
CID 144628300
2-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,3-benzoselenazol-5-ol
CID 155642671
3-[5-[(E)-2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]thiophen-2-yl]chromen-2-one
CID 90444268
methyl 3-(5-thiophen-2-ylthiophen-2-yl)prop-2-enoate
CID 169479932
2,3-dimethyl-5,8-bis(5-thiophen-2-ylthiophen-2-yl)quinoxaline
CID 101404191
2,5-dithiophen-2-ylthiophene;ethane
CID 169103820
2-(2-thiophen-2-ylethenyl)quinoline
CID 4107923
tris(5-thiophen-2-ylthiophen-2-yl)phosphane
CID 101444105
2,6-bis(5-thiophen-2-ylthiophen-2-yl)pyrazine
CID 59488709
2-[(5-thiophen-2-ylthiophen-2-yl)methylideneamino]phenol
CID 779639

Frequently Asked Questions

What is the IUPAC name of 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline?
The IUPAC name of 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline (CID 66867019) is 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline.
What is the SMILES notation for 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline?
The canonical SMILES for 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline is C(=Cc1ccc(-c2cccs2)s1)c1ccc2ccc3ccc(C=Cc4ccc(-c5cccs5)s4)nc3c2n1.
What is the InChIKey of 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline?
The InChIKey is VIWAZDGJXLJXET-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20N2S4/c1-3-27(35-19-1)29-17-15-25(37-29)13-11-23-9-7-21-5-6-22-8-10-24(34-32(22)31(21)33-23)12-14-26-16-18-30(38-26)28-4-2-20-36-28/h1-20H.
What are the key properties of 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline?
2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline has a molecular weight of 560.79 g/mol, XLogP of 10.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-bis[2-(5-thiophen-2-ylthiophen-2-yl)ethenyl]-1,10-phenanthroline is sourced from PubChem (CID 66867019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).