bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)

C42H32Cr2F6N12O6S2 — CID 139141033

IUPACbis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cr+3].[Cr+3].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CHF3O3S.2Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;/h4*1-8H;2*(H,5,6,7);;/q4*-1;;;2*+3/p-2
InChIKeyASNNFLDIKYMBPW-UHFFFAOYSA-L
MW1082.91 g/mol
LogP11.35
Rot. Bonds8

About bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)

bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate) (PubChem CID 139141033) has the molecular formula C42H32Cr2F6N12O6S2 and a molecular weight of 1082.91 g/mol. Its IUPAC name is bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Namebis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)
PubChem CID139141033
Molecular FormulaC42H32Cr2F6N12O6S2
Molecular Weight1082.91 g/mol
Exact Mass1082.07
IUPAC Namebis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)
SMILESO=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cr+3].[Cr+3].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1
InChIInChI=1S/4C10H8N3.2CHF3O3S.2Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;/h4*1-8H;2*(H,5,6,7);;/q4*-1;;;2*+3/p-2
InChIKeyASNNFLDIKYMBPW-UHFFFAOYSA-L
XLogP11.35
TPSA273.92 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001082.91
LogP ≤ 511.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Bis(di-2-pyridylamine-kappa^2^N^2^,N^2'^)silver(I) trifluoromethanesulfonate
CID 139061000
Tetrakis(dipyridin-2-ylazanide);bis(molybdenum(3+));bis(trifluoromethanesulfonate)
CID 139141034
MoW(dpa)4(OTf)2
CID 139141035
copper(1+);bis(N,N-dipyridin-2-ylpyridin-2-amine);trifluoromethanesulfonate
CID 139148951
zinc;bis(N-pyridin-2-ylpyridin-2-amine);bis(trifluoromethanesulfonate)
CID 139162570
Trisilver;2,8,14,20,26,32,38,44-octamethyl-2,8,14,20,26,32,38,44,49,50,51,52,53,54,55,56-hexadecazanonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene;tris(trifluoromethanesulfonate)
CID 139183347
fac-Triaqua[tris(2-pyridyl)amine]chromium(III) trifluoromethanesulfonate
CID 168308748
Cerium-tris-(dipyridylamide)
CID 139126164
Neodymium-tris-(dipyridylamide)
CID 139126165
Samarium-tris-(dipyridylamide)
CID 139126166
Holmium-tris-(dipyridylamide)
CID 139126167
Thulium-tris-(dipyridylamide)
CID 139126168

Frequently Asked Questions

What is the IUPAC name of bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)?
The IUPAC name of bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate) (CID 139141033) is bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate).
What is the SMILES notation for bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)?
The canonical SMILES for bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate) is O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Cr+3].[Cr+3].c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.c1ccc([N-]c2ccccn2)nc1.
What is the InChIKey of bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)?
The InChIKey is ASNNFLDIKYMBPW-UHFFFAOYSA-L. The full InChI is InChI=1S/4C10H8N3.2CHF3O3S.2Cr/c4*1-3-7-11-9(5-1)13-10-6-2-4-8-12-10;2*2-1(3,4)8(5,6)7;;/h4*1-8H;2*(H,5,6,7);;/q4*-1;;;2*+3/p-2.
What are the key properties of bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate)?
bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate) has a molecular weight of 1082.91 g/mol, XLogP of 11.35, 8 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for bis(chromium(3+));tetrakis(dipyridin-2-ylazanide);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 139141033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).