tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)

C75H72K3N6O3Yb — CID 139106207

IUPACtripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.[K+].[K+].[K+].[Yb+3].c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1.c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1.c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1
InChIInChI=1S/3C21H16N2.3C4H8O.3K.Yb/c3*1-3-9-17(10-4-1)21(19-13-7-15-22-19,20-14-8-16-23-20)18-11-5-2-6-12-18;3*1-2-4-5-3-1;;;;/h3*1-16H;3*1-4H2;;;;/q3*-2;;;;3*+1;+3
InChIKeyFOEZTFIHMIEFTE-UHFFFAOYSA-N
MW1395.77 g/mol
LogP5.35
Rot. Bonds12

About tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)

tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+) (PubChem CID 139106207) has the molecular formula C75H72K3N6O3Yb and a molecular weight of 1395.77 g/mol. Its IUPAC name is tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+).

Molecular Properties

Compound Nametripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)
PubChem CID139106207
Molecular FormulaC75H72K3N6O3Yb
Molecular Weight1395.77 g/mol
Exact Mass1395.40
IUPAC Nametripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)
SMILESC1CCOC1.C1CCOC1.C1CCOC1.[K+].[K+].[K+].[Yb+3].c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1.c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1.c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1
InChIInChI=1S/3C21H16N2.3C4H8O.3K.Yb/c3*1-3-9-17(10-4-1)21(19-13-7-15-22-19,20-14-8-16-23-20)18-11-5-2-6-12-18;3*1-2-4-5-3-1;;;;/h3*1-16H;3*1-4H2;;;;/q3*-2;;;;3*+1;+3
InChIKeyFOEZTFIHMIEFTE-UHFFFAOYSA-N
XLogP5.35
TPSA112.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.77
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Oxolane;oxygen(2-);tetrakis(2-(1-pyrrol-1-id-2-ylcyclohexyl)pyrrol-1-ide);bis(ytterbium(2+));bis(ytterbium(3+))
CID 139106208
(dmpm)Fe(bpy)
CID 139115764
[(tpe)Fe(py)][Li(thf)2(Et2O)2]
CID 139131749
[(tpe)Co(py)][Li(thf)4]
CID 139131750
[(tpe)Mn(py)][Li(thf)4]
CID 139131752
Cobalt(2+);oxolane;bis(4-(4-phenylphenyl)-2,6-dipyridin-2-ylpyridine);dihexafluorophosphate
CID 139153705
Bis(cobalt(2+));oxolane;bis(pyridine);12,12,38,38-tetraethyl-6,18,32,44-tetraza-54,55,57,58-tetrazanidaundecacyclo[47.3.1.18,11.113,16.123,27.134,37.139,42.05,52.019,24.026,31.045,50]octapentaconta-1(53),2,4,6,8,10,13,15,17,19,21,23(56),24,26,28,30,32,34,36,39,41,43,45,47,49,51-hexacosaene
CID 139157593
Bis(2-[5-[bis(5-pyridin-2-ylpyrrol-1-id-2-yl)methyl]pyrrol-1-id-2-yl]pyridine);tris(iron(2+));oxolane
CID 168351928
2,4-Diphenylpyridine;iridium;iridium(3+);methanol;2-phenyl-6-(4-phenyl-6-phenyl-2-pyridinyl)-4-propan-2-ylpyridine;bis(2-phenyl-4-propan-2-ylpyridine)
CID 159756053
Bis(chromium(2+));bis(2-[diphenyl(pyrrol-1-id-2-yl)methyl]-1-methylpyrrole);oxolane;toluene;dichloride
CID 139112396
[(tpe)Ni(py)][Li(thf)4]
CID 139131751
Lithium;ZINC;2-[1,1-bis[5-(2,4,6-trimethylphenyl)pyrrol-1-id-2-yl]ethyl]-5-(2,4,6-trimethylphenyl)pyrrol-1-ide;oxolane;pyridine
CID 139131753

Frequently Asked Questions

What is the IUPAC name of tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)?
The IUPAC name of tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+) (CID 139106207) is tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+).
What is the SMILES notation for tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)?
The canonical SMILES for tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+) is C1CCOC1.C1CCOC1.C1CCOC1.[K+].[K+].[K+].[Yb+3].c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1.c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1.c1ccc(C(c2ccccc2)(c2ccc[n-]2)c2ccc[n-]2)cc1.
What is the InChIKey of tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)?
The InChIKey is FOEZTFIHMIEFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/3C21H16N2.3C4H8O.3K.Yb/c3*1-3-9-17(10-4-1)21(19-13-7-15-22-19,20-14-8-16-23-20)18-11-5-2-6-12-18;3*1-2-4-5-3-1;;;;/h3*1-16H;3*1-4H2;;;;/q3*-2;;;;3*+1;+3.
What are the key properties of tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+)?
tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+) has a molecular weight of 1395.77 g/mol, XLogP of 5.35, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tripotassium;tris(2-[diphenyl(pyrrol-1-id-2-yl)methyl]pyrrol-1-ide);oxolane;ytterbium(3+) is sourced from PubChem (CID 139106207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).