methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate

C18H15F6N4OPS — CID 139198310

IUPACmethanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate
SMILESCO.F[P-](F)(F)(F)(F)F.c1csc(-c2nc3c4ccc[nH+]c4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C17H10N4S.CH4O.F6P/c1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12;1-2;1-7(2,3,4,5)6/h1-9H,(H,20,21);2H,1H3;/q;;-1/p+1
InChIKeyYLSVPCADEDCGBH-UHFFFAOYSA-O
MW480.37 g/mol
LogP6.80
Rot. Bonds1

About methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate

methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate (PubChem CID 139198310) has the molecular formula C18H15F6N4OPS and a molecular weight of 480.37 g/mol. Its IUPAC name is methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate.

Molecular Properties

Compound Namemethanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate
PubChem CID139198310
Molecular FormulaC18H15F6N4OPS
Molecular Weight480.37 g/mol
Exact Mass480.06
IUPAC Namemethanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate
SMILESCO.F[P-](F)(F)(F)(F)F.c1csc(-c2nc3c4ccc[nH+]c4c4ncccc4c3[nH]2)c1
InChIInChI=1S/C17H10N4S.CH4O.F6P/c1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12;1-2;1-7(2,3,4,5)6/h1-9H,(H,20,21);2H,1H3;/q;;-1/p+1
InChIKeyYLSVPCADEDCGBH-UHFFFAOYSA-O
XLogP6.80
TPSA75.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.37
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-thiophen-2-yl-3H-imidazo[4,5-c]quinoline
CID 10705898
N-[4-(4-ethylpiperazin-1-yl)phenyl]-7-(1H-indol-6-yl)thieno[3,2-d]pyrimidin-2-amine
CID 164627693
4-thiophen-2-yl-6-(trifluoromethyl)-2-(4-(3-(trifluoromethyl)-pyridin-2-yl)piperazin-1-yl)-1H-benzo[d]imidazole
CID 11498144
N-[[2-(aminomethyl)-3-thienyl]methyl]-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53319240
2-(5-methylthiophen-3-yl)-3H-imidazo[4,5-c]quinoline
CID 14207848
4-methyl-2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44524872
4-methyl-2-[5-[3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44524882
2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-6-(trifluoromethyl)-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44524888
4-methyl-2-[5-[4-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526430
2-[5-[4-[(4-pyridin-4-ylpiperazin-1-yl)methyl]phenyl]thiophen-2-yl]-1H-benzimidazole
CID 44530531
N-[2-(1H-benzimidazol-2-yl)phenyl]-7-(1,3-thiazol-2-yl)quinolin-4-amine;hydrochloride
CID 44532392
1-(3H-benzimidazol-5-yl)-8-thiophen-3-ylimidazo[4,5-c][1,7]naphthyridine
CID 134156928

Frequently Asked Questions

What is the IUPAC name of methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate?
The IUPAC name of methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate (CID 139198310) is methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate.
What is the SMILES notation for methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate?
The canonical SMILES for methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate is CO.F[P-](F)(F)(F)(F)F.c1csc(-c2nc3c4ccc[nH+]c4c4ncccc4c3[nH]2)c1.
What is the InChIKey of methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate?
The InChIKey is YLSVPCADEDCGBH-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H10N4S.CH4O.F6P/c1-4-10-13(18-7-1)14-11(5-2-8-19-14)16-15(10)20-17(21-16)12-6-3-9-22-12;1-2;1-7(2,3,4,5)6/h1-9H,(H,20,21);2H,1H3;/q;;-1/p+1.
What are the key properties of methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate?
methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate has a molecular weight of 480.37 g/mol, XLogP of 6.80, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;2-thiophen-2-yl-3H-imidazo[4,5-f][1,10]phenanthrolin-8-ium;hexafluorophosphate is sourced from PubChem (CID 139198310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).