octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene

C182H122Co4F48N32O32S16 — CID 139172403

IUPACoctakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/12C12H8N2.C8H10.2C7H8.8C2F6NO4S2.4Co/c12*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;8*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;;/h12*1-8H;3-6H,1-2H3;2*2-6H,1H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;8*-1;4*+2
InChIKeyDPEKWWYSGIGYRG-UHFFFAOYSA-N
MW4929.88 g/mol
LogP48.15
Rot. Bonds16

About octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene

octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene (PubChem CID 139172403) has the molecular formula C182H122Co4F48N32O32S16 and a molecular weight of 4929.88 g/mol. Its IUPAC name is octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene.

Molecular Properties

Compound Nameoctakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene
PubChem CID139172403
Molecular FormulaC182H122Co4F48N32O32S16
Molecular Weight4929.88 g/mol
Exact Mass4926.10
IUPAC Nameoctakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene
SMILESCc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/12C12H8N2.C8H10.2C7H8.8C2F6NO4S2.4Co/c12*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;8*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;;/h12*1-8H;3-6H,1-2H3;2*2-6H,1H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;8*-1;4*+2
InChIKeyDPEKWWYSGIGYRG-UHFFFAOYSA-N
XLogP48.15
TPSA968.40 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds16
Heavy Atoms314
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004929.88
LogP ≤ 548.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

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Related Compounds

ZINC;bis(1,10-phenanthroline);bis(trifluoromethanesulfonate)
CID 139048112
Tris(1,10-phenanthroline-kappa^2^N,N')iron(II) bis[bis(trifluoromethylsulfonyl)imide] monohydrate
CID 139087157
Hexasilver;bis(4,5,10,11,16,17-hexapyridin-2-yl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene);hexakis(trifluoromethanesulfonate);hexahydrate
CID 139089119
Octakis(palladium(2+));octakis(1,10-phenanthroline);octakis(trifluoromethanesulfonate);octaacetate;dihydrate
CID 139097437
Tris(4,7-dimethyl-1,10-phenanthroline);ruthenium(2+);bis(tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide)
CID 139118151
[Cr(phen)3](OTf)2
CID 139137425
Bis(2,9-bis(2,4,6-trimethylphenyl)-1,10-phenanthroline);bis(copper(1+));bis(dichloromethane);4-(2-pyridin-4-ylethynyl)pyridine;bis(trifluoromethanesulfonate)
CID 139137867
Benzene;tris(iron(2+));methanol;tris(5-[(4-pyridin-2-yltriazol-1-yl)methyl]-2-[5-[(4-pyridin-2-yltriazol-1-yl)methyl]-2-pyridinyl]pyridine);hexakis(trifluoromethanesulfonate)
CID 139142933
ZINC;benzene;bis(iron(2+));tris(5-[(4-pyridin-2-yltriazol-1-yl)methyl]-2-[5-[(4-pyridin-2-yltriazol-1-yl)methyl]-2-pyridinyl]pyridine);hexakis(trifluoromethanesulfonate)
CID 139142934
Copper;bis(copper(1+));bis(cyclopentane-1,2,3,4,5-pentone);pentakis(1,10-phenanthroline);bis(trifluoromethanesulfonate)
CID 139154642
bis(2-pyridin-2-ylpyridine);bis(9H-pyrido[3,4-b]indole);ruthenium(2+);toluene;bis(trifluoromethanesulfonate)
CID 139156838
Chromium(3+);bis(1,10-phenanthroline);quinoxalino[2,3-f][1,10]phenanthroline;tris(trifluoromethanesulfonate)
CID 139161598

Frequently Asked Questions

What is the IUPAC name of octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene?
The IUPAC name of octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene (CID 139172403) is octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene.
What is the SMILES notation for octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene?
The canonical SMILES for octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene is Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.O=S(=O)([N-]S(=O)(=O)C(F)(F)F)C(F)(F)F.[Co+2].[Co+2].[Co+2].[Co+2].c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene?
The InChIKey is DPEKWWYSGIGYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/12C12H8N2.C8H10.2C7H8.8C2F6NO4S2.4Co/c12*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-3-5-8(2)6-4-7;2*1-7-5-3-2-4-6-7;8*3-1(4,5)14(10,11)9-15(12,13)2(6,7)8;;;;/h12*1-8H;3-6H,1-2H3;2*2-6H,1H3;;;;;;;;;;;;/q;;;;;;;;;;;;;;;8*-1;4*+2.
What are the key properties of octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene?
octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene has a molecular weight of 4929.88 g/mol, XLogP of 48.15, 16 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(bis(trifluoromethylsulfonyl)azanide);tetrakis(cobalt(2+));dodecakis(1,10-phenanthroline);toluene;1,4-xylene is sourced from PubChem (CID 139172403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).