bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene

C146H190Cl4F5N7O8P2Ru4S3+6 — CID 158135016

IUPACbis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene
SMILESCC.CC.CC.CC.C[PH+](C)c1ccc2c(c1C1c3ccccc3CCC1[PH+](C)C)CCCC2.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(N)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(N)c2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].NC(c1ccccc1)C([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.[CH2-]C(c1[c-]cc(CO)cc1)(c1ccc(OC)cc1)C(N)C(C)C.[CH3-].[CH3-].[CH3-].[H][H]
InChIInChI=1S/C24H32P2.2C21H21N2O2S.C20H14F5N2O2S.C20H25NO2.2C10H14.C9H12.4C2H6.3CH3.4ClH.4Ru.H2/c1-25(2)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)26(3)4;2*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;21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-14(2)19(21)20(3,16-7-5-15(13-22)6-8-16)17-9-11-18(23-4)12-10-17;2*1-8(2)10-6-4-9(3)5-7-10;1-7-4-8(2)6-9(3)5-7;4*1-2;;;;;;;;;;;;/h5,7,9,11,14,16,21,23H,6,8,10,12-13,15H2,1-4H3;2*2-15,20-21H,22H2,1H3;1-10,18-19H,26H2;5-7,9-12,14,19,22H,3,13,21H2,1-2,4H3;2*4-8H,1-3H3;4-6H,1-3H3;4*1-2H3;3*1H3;4*1H;;;;;1H/q;3*-1;-2;;;;;;;;3*-1;;;;;4*+4;/p-2
InChIKeyJSULUUAIXCIDES-UHFFFAOYSA-L
MW2970.40 g/mol
LogP39.86
Rot. Bonds29

About bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene

bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene (PubChem CID 158135016) has the molecular formula C146H190Cl4F5N7O8P2Ru4S3+6 and a molecular weight of 2970.40 g/mol. Its IUPAC name is bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene.

Molecular Properties

Compound Namebis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene
PubChem CID158135016
Molecular FormulaC146H190Cl4F5N7O8P2Ru4S3+6
Molecular Weight2970.40 g/mol
Exact Mass2969.81
IUPAC Namebis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene
SMILESCC.CC.CC.CC.C[PH+](C)c1ccc2c(c1C1c3ccccc3CCC1[PH+](C)C)CCCC2.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(N)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(N)c2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].NC(c1ccccc1)C([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.[CH2-]C(c1[c-]cc(CO)cc1)(c1ccc(OC)cc1)C(N)C(C)C.[CH3-].[CH3-].[CH3-].[H][H]
InChIInChI=1S/C24H32P2.2C21H21N2O2S.C20H14F5N2O2S.C20H25NO2.2C10H14.C9H12.4C2H6.3CH3.4ClH.4Ru.H2/c1-25(2)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)26(3)4;2*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;21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-14(2)19(21)20(3,16-7-5-15(13-22)6-8-16)17-9-11-18(23-4)12-10-17;2*1-8(2)10-6-4-9(3)5-7-10;1-7-4-8(2)6-9(3)5-7;4*1-2;;;;;;;;;;;;/h5,7,9,11,14,16,21,23H,6,8,10,12-13,15H2,1-4H3;2*2-15,20-21H,22H2,1H3;1-10,18-19H,26H2;5-7,9-12,14,19,22H,3,13,21H2,1-2,4H3;2*4-8H,1-3H3;4-6H,1-3H3;4*1-2H3;3*1H3;4*1H;;;;;1H/q;3*-1;-2;;;;;;;;3*-1;;;;;4*+4;/p-2
InChIKeyJSULUUAIXCIDES-UHFFFAOYSA-L
XLogP39.86
TPSA278.26 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds29
Heavy Atoms179
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002970.40
LogP ≤ 539.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene?
The IUPAC name of bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene (CID 158135016) is bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene.
What is the SMILES notation for bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene?
The canonical SMILES for bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene is CC.CC.CC.CC.C[PH+](C)c1ccc2c(c1C1c3ccccc3CCC1[PH+](C)C)CCCC2.Cc1cc(C)cc(C)c1.Cc1ccc(C(C)C)cc1.Cc1ccc(C(C)C)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(N)c2ccccc2)cc1.Cc1ccc(S(=O)(=O)[N-]C(c2ccccc2)C(N)c2ccccc2)cc1.Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].NC(c1ccccc1)C([N-]S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F)c1ccccc1.[CH2-]C(c1[c-]cc(CO)cc1)(c1ccc(OC)cc1)C(N)C(C)C.[CH3-].[CH3-].[CH3-].[H][H].
What is the InChIKey of bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene?
The InChIKey is JSULUUAIXCIDES-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H32P2.2C21H21N2O2S.C20H14F5N2O2S.C20H25NO2.2C10H14.C9H12.4C2H6.3CH3.4ClH.4Ru.H2/c1-25(2)21-15-13-17-9-5-7-11-19(17)23(21)24-20-12-8-6-10-18(20)14-16-22(24)26(3)4;2*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;21-13-14(22)16(24)20(17(25)15(13)23)30(28,29)27-19(12-9-5-2-6-10-12)18(26)11-7-3-1-4-8-11;1-14(2)19(21)20(3,16-7-5-15(13-22)6-8-16)17-9-11-18(23-4)12-10-17;2*1-8(2)10-6-4-9(3)5-7-10;1-7-4-8(2)6-9(3)5-7;4*1-2;;;;;;;;;;;;/h5,7,9,11,14,16,21,23H,6,8,10,12-13,15H2,1-4H3;2*2-15,20-21H,22H2,1H3;1-10,18-19H,26H2;5-7,9-12,14,19,22H,3,13,21H2,1-2,4H3;2*4-8H,1-3H3;4-6H,1-3H3;4*1-2H3;3*1H3;4*1H;;;;;1H/q;3*-1;-2;;;;;;;;3*-1;;;;;4*+4;/p-2.
What are the key properties of bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene?
bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene has a molecular weight of 2970.40 g/mol, XLogP of 39.86, 29 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;[4-[3-amino-2-(4-methoxyphenyl)-4-methylpentan-2-yl]benzene-5-id-1-yl]methanol;carbanide;tetrakis(chlororuthenium(3+));[1-(2-dimethylphosphaniumyl-1,2,3,4-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-dimethylphosphanium;ethane;bis(1-methyl-4-propan-2-ylbenzene);molecular hydrogen;1,3,5-trimethylbenzene is sourced from PubChem (CID 158135016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).