5,6-dithiophen-2-yl-1,10-phenanthroline

C20H12N2S2 — CID 66704234

IUPAC5,6-dithiophen-2-yl-1,10-phenanthroline
SMILESc1csc(-c2c(-c3cccs3)c3cccnc3c3ncccc23)c1
InChIInChI=1S/C20H12N2S2/c1-5-13-17(15-7-3-11-23-15)18(16-8-4-12-24-16)14-6-2-10-22-20(14)19(13)21-9-1/h1-12H
InChIKeyKBQJGYKZXMELSF-UHFFFAOYSA-N
MW344.46 g/mol
LogP6.24
Rot. Bonds2

About 5,6-dithiophen-2-yl-1,10-phenanthroline

5,6-dithiophen-2-yl-1,10-phenanthroline (PubChem CID 66704234) has the molecular formula C20H12N2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5,6-dithiophen-2-yl-1,10-phenanthroline.

Molecular Properties

Compound Name5,6-dithiophen-2-yl-1,10-phenanthroline
PubChem CID66704234
Molecular FormulaC20H12N2S2
Molecular Weight344.46 g/mol
Exact Mass344.04
IUPAC Name5,6-dithiophen-2-yl-1,10-phenanthroline
SMILESc1csc(-c2c(-c3cccs3)c3cccnc3c3ncccc23)c1
InChIInChI=1S/C20H12N2S2/c1-5-13-17(15-7-3-11-23-15)18(16-8-4-12-24-16)14-6-2-10-22-20(14)19(13)21-9-1/h1-12H
InChIKeyKBQJGYKZXMELSF-UHFFFAOYSA-N
XLogP6.24
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dithiophen-2-yl-1,10-phenanthroline?
The IUPAC name of 5,6-dithiophen-2-yl-1,10-phenanthroline (CID 66704234) is 5,6-dithiophen-2-yl-1,10-phenanthroline.
What is the SMILES notation for 5,6-dithiophen-2-yl-1,10-phenanthroline?
The canonical SMILES for 5,6-dithiophen-2-yl-1,10-phenanthroline is c1csc(-c2c(-c3cccs3)c3cccnc3c3ncccc23)c1.
What is the InChIKey of 5,6-dithiophen-2-yl-1,10-phenanthroline?
The InChIKey is KBQJGYKZXMELSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2S2/c1-5-13-17(15-7-3-11-23-15)18(16-8-4-12-24-16)14-6-2-10-22-20(14)19(13)21-9-1/h1-12H.
What are the key properties of 5,6-dithiophen-2-yl-1,10-phenanthroline?
5,6-dithiophen-2-yl-1,10-phenanthroline has a molecular weight of 344.46 g/mol, XLogP of 6.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dithiophen-2-yl-1,10-phenanthroline is sourced from PubChem (CID 66704234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).