decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate

C140H118Cr4F72N34P12 — CID 139163811

IUPACdecakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cr+3].[Cr+3].[Cr+3].[Cr+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/8C15H11N3.10C2H3N.4Cr.12F6P/c8*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;10*1-2-3;;;;;12*1-7(2,3,4,5)6/h8*1-11H;10*1H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;4*+3;12*-1
InChIKeyJJNNGYKTVCREMO-UHFFFAOYSA-N
MW4224.25 g/mol
LogP71.52
Rot. Bonds16

About decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate

decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate (PubChem CID 139163811) has the molecular formula C140H118Cr4F72N34P12 and a molecular weight of 4224.25 g/mol. Its IUPAC name is decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate.

Molecular Properties

Compound Namedecakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate
PubChem CID139163811
Molecular FormulaC140H118Cr4F72N34P12
Molecular Weight4224.25 g/mol
Exact Mass4222.36
IUPAC Namedecakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate
SMILESCC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cr+3].[Cr+3].[Cr+3].[Cr+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1
InChIInChI=1S/8C15H11N3.10C2H3N.4Cr.12F6P/c8*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;10*1-2-3;;;;;12*1-7(2,3,4,5)6/h8*1-11H;10*1H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;4*+3;12*-1
InChIKeyJJNNGYKTVCREMO-UHFFFAOYSA-N
XLogP71.52
TPSA547.26 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds16
Heavy Atoms262
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004224.25
LogP ≤ 571.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

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Related Compounds

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
(La(tpen)(OH))2(Otf)4.3CH3CN
CID 139152416
Tetrakis(acetonitrile);bis(2,6-dipyridin-2-ylpyridine);bis(rhodium(3+));tetrakis(trifluoromethanesulfonate);peroxide
CID 139157903
Dicopper;acetonitrile;2,6-bis[5-(trifluoromethyl)pyrazol-1-id-3-yl]pyridine;bis(2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine)
CID 139160035
RuPDP(COD)OTf
CID 139169569
Acetonitrile;chromium(3+);2,6-dipyridin-2-ylpyridine;2,3,5,6-tetrapyridin-2-ylpyrazine;tris(trifluoromethanesulfonate)
CID 139171097
Bis(acetonitrile);2,6-dipyridin-2-ylpyridine;ruthenium(2+);4-(trifluoromethyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyridine;dihexafluorophosphate
CID 139171244
Gross107 (Sudhakar)
CID 139174614

Frequently Asked Questions

What is the IUPAC name of decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate?
The IUPAC name of decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate (CID 139163811) is decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate.
What is the SMILES notation for decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate?
The canonical SMILES for decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate is CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.CC#N.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.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.[Cr+3].[Cr+3].[Cr+3].[Cr+3].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc(-c2cccc(-c3ccccn3)n2)nc1.
What is the InChIKey of decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate?
The InChIKey is JJNNGYKTVCREMO-UHFFFAOYSA-N. The full InChI is InChI=1S/8C15H11N3.10C2H3N.4Cr.12F6P/c8*1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;10*1-2-3;;;;;12*1-7(2,3,4,5)6/h8*1-11H;10*1H3;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;;4*+3;12*-1.
What are the key properties of decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate?
decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate has a molecular weight of 4224.25 g/mol, XLogP of 71.52, 16 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for decakis(acetonitrile);tetrakis(chromium(3+));octakis(2,6-dipyridin-2-ylpyridine);dodecahexafluorophosphate is sourced from PubChem (CID 139163811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).