gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate

C34H28F18GaN8P3 — CID 139171092

IUPACgallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate
SMILESCC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ga+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C2H3N.3F6P.Ga/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2-3;3*1-7(2,3,4,5)6;/h2*1-11H;2*1H3;;;;/q;;;;3*-1;+3
InChIKeyHEGLKDQCLGQAEI-UHFFFAOYSA-N
MW1053.26 g/mol
LogP17.24
Rot. Bonds4

About gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate

gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate (PubChem CID 139171092) has the molecular formula C34H28F18GaN8P3 and a molecular weight of 1053.26 g/mol. Its IUPAC name is gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate.

Molecular Properties

Compound Namegallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate
PubChem CID139171092
Molecular FormulaC34H28F18GaN8P3
Molecular Weight1053.26 g/mol
Exact Mass1052.06
IUPAC Namegallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate
SMILESCC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ga+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/2C15H11N3.2C2H3N.3F6P.Ga/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2-3;3*1-7(2,3,4,5)6;/h2*1-11H;2*1H3;;;;/q;;;;3*-1;+3
InChIKeyHEGLKDQCLGQAEI-UHFFFAOYSA-N
XLogP17.24
TPSA124.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.26
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

Tris(2,2'-bipyridine)nickel dichloride
CID 72193962
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
Tris(2,2'-bipyridyl)ruthenium(II) dichloride
CID 44140593
Hexakis(acetonitrile);tetrakis(2,6-dipyridin-2-ylpyridine);tetrakis(rhodium);tetrakis(trifluoromethanesulfonate)
CID 139106827
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(2+));tetrakis(trifluoromethanesulfonate)
CID 139106828
Tris(acetonitrile);bis(erbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132379
Tris(acetonitrile);bis(terbium(3+));bis(1,4,7,10-tetrakis(pyridin-2-ylmethyl)-1,4,7,10-tetrazacyclododecane);hexakis(trifluoromethanesulfonate)
CID 139132380
[Mn2III,IV(O)2(terpy)2(CF3CO2)2](ClO4).CH3CN
CID 139132892
Bis(bis(trifluoromethylsulfonyl)azanide);bis(2,6-dipyridin-2-ylpyridine);bis(palladium(2+));dinitrate
CID 139149293
Cerium(3+);bis(2,6-dipyridin-2-ylpyridine);tris(trifluoromethanesulfonate)
CID 139153054
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(3+));tetrakis(trifluoromethanesulfonate);peroxide
CID 139157903

Frequently Asked Questions

What is the IUPAC name of gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate?
The IUPAC name of gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate (CID 139171092) is gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate.
What is the SMILES notation for gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate?
The canonical SMILES for gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate is CC#N.CC#N.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Ga+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate?
The InChIKey is HEGLKDQCLGQAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N3.2C2H3N.3F6P.Ga/c2*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;2*1-2-3;3*1-7(2,3,4,5)6;/h2*1-11H;2*1H3;;;;/q;;;;3*-1;+3.
What are the key properties of gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate?
gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate has a molecular weight of 1053.26 g/mol, XLogP of 17.24, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for gallium;bis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);trihexafluorophosphate is sourced from PubChem (CID 139171092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).