bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene

C145H188Cl4F5N8O8P2Ru4S3+7 — CID 162159899

IUPACbis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene
SMILESCC.CC.CC.CC.COc1ccc(C(N)(c2[c-]cc(CO)cc2)C(N)C(C)C)cc1.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.[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C24H32P2.2C21H21N2O2S.C20H14F5N2O2S.C19H25N2O2.2C10H14.C9H12.4C2H6.3CH3.4ClH.4Ru/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;1-13(2)18(20)19(21,15-6-4-14(12-22)5-7-15)16-8-10-17(23-3)11-9-16;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;4-6,8-11,13,18,22H,12,20-21H2,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4*1-2H3;3*1H3;4*1H;;;;/q;4*-1;;;;;;;;3*-1;;;;;4*+4/p-2
InChIKeyQNEGQQOAUOVTGH-UHFFFAOYSA-L
MW2970.38 g/mol
LogP38.69
Rot. Bonds29

About bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene (PubChem CID 162159899) has the molecular formula C145H188Cl4F5N8O8P2Ru4S3+7 and a molecular weight of 2970.38 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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene
PubChem CID162159899
Molecular FormulaC145H188Cl4F5N8O8P2Ru4S3+7
Molecular Weight2970.38 g/mol
Exact Mass2969.80
IUPAC Namebis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene
SMILESCC.CC.CC.CC.COc1ccc(C(N)(c2[c-]cc(CO)cc2)C(N)C(C)C)cc1.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.[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C24H32P2.2C21H21N2O2S.C20H14F5N2O2S.C19H25N2O2.2C10H14.C9H12.4C2H6.3CH3.4ClH.4Ru/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;1-13(2)18(20)19(21,15-6-4-14(12-22)5-7-15)16-8-10-17(23-3)11-9-16;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;4-6,8-11,13,18,22H,12,20-21H2,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4*1-2H3;3*1H3;4*1H;;;;/q;4*-1;;;;;;;;3*-1;;;;;4*+4/p-2
InChIKeyQNEGQQOAUOVTGH-UHFFFAOYSA-L
XLogP38.69
TPSA304.28 Ų
H-Bond Donors6
H-Bond Acceptors13
Rotatable Bonds29
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002970.38
LogP ≤ 538.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1013

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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene (CID 162159899) is bis((2-amino-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide);(2-amino-1,2-diphenylethyl)-(2,3,4,5,6-pentafluorophenyl)sulfonylazanide;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene is CC.CC.CC.CC.COc1ccc(C(N)(c2[c-]cc(CO)cc2)C(N)C(C)C)cc1.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.[CH3-].[CH3-].[CH3-].
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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene?
The InChIKey is QNEGQQOAUOVTGH-UHFFFAOYSA-L. The full InChI is InChI=1S/C24H32P2.2C21H21N2O2S.C20H14F5N2O2S.C19H25N2O2.2C10H14.C9H12.4C2H6.3CH3.4ClH.4Ru/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;1-13(2)18(20)19(21,15-6-4-14(12-22)5-7-15)16-8-10-17(23-3)11-9-16;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;4-6,8-11,13,18,22H,12,20-21H2,1-3H3;2*4-8H,1-3H3;4-6H,1-3H3;4*1-2H3;3*1H3;4*1H;;;;/q;4*-1;;;;;;;;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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene has a molecular weight of 2970.38 g/mol, XLogP of 38.69, 29 rotatable bonds, 6 hydrogen bond donors, and 13 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;carbanide;tetrakis(chlororuthenium(3+));[4-[1,2-diamino-1-(4-methoxyphenyl)-3-methylbutyl]benzene-5-id-1-yl]methanol;[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);1,3,5-trimethylbenzene is sourced from PubChem (CID 162159899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).