tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate

C214H247B2F17N16O15PRu6S7+3 — CID 159901868

IUPACtetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate
SMILESC.C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](NCCCc2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](NCCCc2ccccc2)c2ccccc2)cc1.FB(F)F.FB(F)F.F[P-](F)(F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[F-].[F-].[Ru+4].[Ru+4].[Ru+4].[Ru+4].[Ru+4].[Ru+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C30H31N2O2S.4C21H20N2O2S.4C10H14.4C5H5N.CHF3O3S.2CH4.7CH3.2BF3.F6P.2FH.6Ru/c2*1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25;4*1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;4*1-8(2)10-6-4-9(3)5-7-10;4*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;;;;;;;;;;2*2-1(3)4;1-7(2,3,4,5)6;;;;;;;;/h2*2-10,12-13,15-22,29-31H,11,14,23H2,1H3;4*2-15,20-22H,1H3;4*4-8H,1-3H3;4*1-5H;(H,5,6,7);2*1H4;7*1H3;;;;2*1H;;;;;;/q2*-1;4*-2;;;;;;;;;;;;7*-1;;;-1;;;6*+4/p-3/t2*29-,30-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11................................./s1
InChIKeyDHSWHVBKMWMFKU-NIPFYAFUSA-K
MW4489.88 g/mol
LogP56.30
Rot. Bonds50

About tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate

tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate (PubChem CID 159901868) has the molecular formula C214H247B2F17N16O15PRu6S7+3 and a molecular weight of 4489.88 g/mol. Its IUPAC name is tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate.

Molecular Properties

Compound Nametetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate
PubChem CID159901868
Molecular FormulaC214H247B2F17N16O15PRu6S7+3
Molecular Weight4489.88 g/mol
Exact Mass4492.10
IUPAC Nametetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate
SMILESC.C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](NCCCc2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](NCCCc2ccccc2)c2ccccc2)cc1.FB(F)F.FB(F)F.F[P-](F)(F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[F-].[F-].[Ru+4].[Ru+4].[Ru+4].[Ru+4].[Ru+4].[Ru+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/2C30H31N2O2S.4C21H20N2O2S.4C10H14.4C5H5N.CHF3O3S.2CH4.7CH3.2BF3.F6P.2FH.6Ru/c2*1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25;4*1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;4*1-8(2)10-6-4-9(3)5-7-10;4*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;;;;;;;;;;2*2-1(3)4;1-7(2,3,4,5)6;;;;;;;;/h2*2-10,12-13,15-22,29-31H,11,14,23H2,1H3;4*2-15,20-22H,1H3;4*4-8H,1-3H3;4*1-5H;(H,5,6,7);2*1H4;7*1H3;;;;2*1H;;;;;;/q2*-1;4*-2;;;;;;;;;;;;7*-1;;;-1;;;6*+4/p-3/t2*29-,30-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11................................./s1
InChIKeyDHSWHVBKMWMFKU-NIPFYAFUSA-K
XLogP56.30
TPSA517.46 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds50
Heavy Atoms278
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004489.88
LogP ≤ 556.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Analyze tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate with MolForge

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Related Compounds

Pentakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;methane;pentakis(1-methyl-4-propan-2-ylbenzene);pentakis(pyridine);pentakis(ruthenium(4+))
CID 158958137
1-(Benzenesulfonyl)-3-(difluoromethyl)-5-piperazin-1-ylindole;tris(3-(difluoromethyl)-1-(3-methylphenyl)sulfonyl-5-piperazin-1-ylindole);3-(difluoromethyl)-1-(4-methylphenyl)sulfonyl-5-piperazin-1-ylindole
CID 161305069
Pentakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;ethane;methane;pentakis(1-methyl-4-propan-2-ylbenzene);pyridine;pentakis(ruthenium(4+));hexafluorophosphate;ditetrafluoroborate
CID 161630400
Tetrakis(4-methylbenzenesulfonate);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)-1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24-tetracosahydroporphyrin
CID 45051863

Frequently Asked Questions

What is the IUPAC name of tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate?
The IUPAC name of tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate (CID 159901868) is tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate.
What is the SMILES notation for tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate?
The canonical SMILES for tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate is C.C.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](NCCCc2ccccc2)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](NCCCc2ccccc2)c2ccccc2)cc1.FB(F)F.FB(F)F.F[P-](F)(F)(F)(F)F.O=S(=O)([O-])C(F)(F)F.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[F-].[F-].[Ru+4].[Ru+4].[Ru+4].[Ru+4].[Ru+4].[Ru+4].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate?
The InChIKey is DHSWHVBKMWMFKU-NIPFYAFUSA-K. The full InChI is InChI=1S/2C30H31N2O2S.4C21H20N2O2S.4C10H14.4C5H5N.CHF3O3S.2CH4.7CH3.2BF3.F6P.2FH.6Ru/c2*1-24-19-21-28(22-20-24)35(33,34)32-30(27-17-9-4-10-18-27)29(26-15-7-3-8-16-26)31-23-11-14-25-12-5-2-6-13-25;4*1-16-12-14-19(15-13-16)26(24,25)23-21(18-10-6-3-7-11-18)20(22)17-8-4-2-5-9-17;4*1-8(2)10-6-4-9(3)5-7-10;4*1-2-4-6-5-3-1;2-1(3,4)8(5,6)7;;;;;;;;;;2*2-1(3)4;1-7(2,3,4,5)6;;;;;;;;/h2*2-10,12-13,15-22,29-31H,11,14,23H2,1H3;4*2-15,20-22H,1H3;4*4-8H,1-3H3;4*1-5H;(H,5,6,7);2*1H4;7*1H3;;;;2*1H;;;;;;/q2*-1;4*-2;;;;;;;;;;;;7*-1;;;-1;;;6*+4/p-3/t2*29-,30-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/m11................................./s1.
What are the key properties of tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate?
tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate has a molecular weight of 4489.88 g/mol, XLogP of 56.30, 50 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis((2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);carbanide;bis([(1R,2R)-1,2-diphenyl-2-(3-phenylpropylamino)ethyl]-(4-methylphenyl)sulfonylazanide);methane;tetrakis(1-methyl-4-propan-2-ylbenzene);tetrakis(pyridine);hexakis(ruthenium(4+));bis(trifluoroborane);trifluoromethanesulfonate;difluoride;hexafluorophosphate is sourced from PubChem (CID 159901868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).