2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline

C22H12N4S2 — CID 21304148

IUPAC2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline
SMILESc1csc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2cccs2)c1
InChIInChI=1S/C22H12N4S2/c1-5-13-17(23-9-1)18-14(6-2-10-24-18)20-19(13)25-21(15-7-3-11-27-15)22(26-20)16-8-4-12-28-16/h1-12H
InChIKeyJVRCFKWZYAWGPQ-UHFFFAOYSA-N
MW396.50 g/mol
LogP6.18
Rot. Bonds2

About 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline

2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline (PubChem CID 21304148) has the molecular formula C22H12N4S2 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline
PubChem CID21304148
Molecular FormulaC22H12N4S2
Molecular Weight396.50 g/mol
Exact Mass396.05
IUPAC Name2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline
SMILESc1csc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2cccs2)c1
InChIInChI=1S/C22H12N4S2/c1-5-13-17(23-9-1)18-14(6-2-10-24-18)20-19(13)25-21(15-7-3-11-27-15)22(26-20)16-8-4-12-28-16/h1-12H
InChIKeyJVRCFKWZYAWGPQ-UHFFFAOYSA-N
XLogP6.18
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Pyrazino[2,3-f][1,10]phenanthroline
CID 11765072
11-Methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
CID 126483472
1-Quinolin-6-yl-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
CID 134132267
6-Thiophen-2-ylindolizino[3,2-c]quinoline
CID 145950787
N-[2-(2,5-difluorophenyl)-4-pyridinyl]-7-thiophen-3-ylquinolin-4-amine
CID 164608888
N-phenyl-7-thiophen-2-ylquinolin-4-amine
CID 137642961
4-Thiophen-3-yl-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 145950672
Dipyridophenazine
CID 3081616
3-(4-Methylpiperazin-1-yl)-5-(thiophen-2-yl)quinoline
CID 50997457
3-Thiophen-3-yl-1,5-naphthyridin-4-amine
CID 172435078
11-Fluoro-dipyrido[3,2-a:2',3'-c]phenazine
CID 46855717
2-((3-Quinolinylmethyl)sulfinyl)-3-(2-thienyl)quinoxaline
CID 374670

Frequently Asked Questions

What is the IUPAC name of 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline?
The IUPAC name of 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline (CID 21304148) is 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline is c1csc(-c2nc3c4cccnc4c4ncccc4c3nc2-c2cccs2)c1.
What is the InChIKey of 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline?
The InChIKey is JVRCFKWZYAWGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12N4S2/c1-5-13-17(23-9-1)18-14(6-2-10-24-18)20-19(13)25-21(15-7-3-11-27-15)22(26-20)16-8-4-12-28-16/h1-12H.
What are the key properties of 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline?
2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline has a molecular weight of 396.50 g/mol, XLogP of 6.18, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dithiophen-2-ylpyrazino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 21304148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).