(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)

C176H217Cl5N10O10Ru5S5 — CID 159266411

IUPAC(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)
SMILESCC(C)c1ccccc1CS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.CCc1cc(CC)c(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.CCc1cc(CC)cc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c1.CCc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.CCc1cccc(CC)c1CS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C27H32N2O2S.3C25H28N2O2S.C24H26N2O2S.5C9H12.5CH3.5ClH.5Ru/c1-4-20-17-21(5-2)25(22(6-3)18-20)19-32(30,31)29-27(24-15-11-8-12-16-24)26(28)23-13-9-7-10-14-23;1-3-19-16-11-17-20(4-2)23(19)18-30(28,29)27-25(22-14-9-6-10-15-22)24(26)21-12-7-5-8-13-21;1-3-19-15-20(4-2)17-21(16-19)18-30(28,29)27-25(23-13-9-6-10-14-23)24(26)22-11-7-5-8-12-22;1-3-19-15-16-23(20(4-2)17-19)18-30(28,29)27-25(22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21;1-18(2)22-16-10-9-15-21(22)17-29(27,28)26-24(20-13-7-4-8-14-20)23(25)19-11-5-3-6-12-19;5*1-7-4-8(2)6-9(3)5-7;;;;;;;;;;;;;;;/h7-18,26-28H,4-6,19H2,1-3H3;3*5-17,24-26H,3-4,18H2,1-2H3;3-16,18,23-25H,17H2,1-2H3;5*4-6H,1-3H3;5*1H3;5*1H;;;;;/q5*-2;;;;;;5*-1;;;;;;5*+4/p-5
InChIKeyKXDTTWIKHNTRQD-UHFFFAOYSA-I
MW3475.68 g/mol
LogP52.06
Rot. Bonds45

About (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)

(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene) (PubChem CID 159266411) has the molecular formula C176H217Cl5N10O10Ru5S5 and a molecular weight of 3475.68 g/mol. Its IUPAC name is (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene).

Molecular Properties

Compound Name(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)
PubChem CID159266411
Molecular FormulaC176H217Cl5N10O10Ru5S5
Molecular Weight3475.68 g/mol
Exact Mass3474.90
IUPAC Name(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)
SMILESCC(C)c1ccccc1CS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.CCc1cc(CC)c(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.CCc1cc(CC)cc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c1.CCc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.CCc1cccc(CC)c1CS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/C27H32N2O2S.3C25H28N2O2S.C24H26N2O2S.5C9H12.5CH3.5ClH.5Ru/c1-4-20-17-21(5-2)25(22(6-3)18-20)19-32(30,31)29-27(24-15-11-8-12-16-24)26(28)23-13-9-7-10-14-23;1-3-19-16-11-17-20(4-2)23(19)18-30(28,29)27-25(22-14-9-6-10-15-22)24(26)21-12-7-5-8-13-21;1-3-19-15-20(4-2)17-21(16-19)18-30(28,29)27-25(23-13-9-6-10-14-23)24(26)22-11-7-5-8-12-22;1-3-19-15-16-23(20(4-2)17-19)18-30(28,29)27-25(22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21;1-18(2)22-16-10-9-15-21(22)17-29(27,28)26-24(20-13-7-4-8-14-20)23(25)19-11-5-3-6-12-19;5*1-7-4-8(2)6-9(3)5-7;;;;;;;;;;;;;;;/h7-18,26-28H,4-6,19H2,1-3H3;3*5-17,24-26H,3-4,18H2,1-2H3;3-16,18,23-25H,17H2,1-2H3;5*4-6H,1-3H3;5*1H3;5*1H;;;;;/q5*-2;;;;;;5*-1;;;;;;5*+4/p-5
InChIKeyKXDTTWIKHNTRQD-UHFFFAOYSA-I
XLogP52.06
TPSA360.20 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds45
Heavy Atoms211
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003475.68
LogP ≤ 552.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene) with MolForge

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Related Compounds

(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537461
(2-azanidyl-1,2-diphenylethyl)-[[2,6-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537641
(2-azanidyl-1,2-diphenylethyl)-[[3,5-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537399
(2-azanidyl-1,2-diphenylethyl)-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-tert-butylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3-tert-butylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(4-tert-butylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[[2,6-di(propan-2-yl)phenyl]methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[[2,4,6-tri(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;hexakis(chlororuthenium(3+));hexakis(1-methyl-4-propan-2-ylbenzene)
CID 160830516
(2-azanidyl-1,2-diphenylethyl)-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537294
(2-azanidyl-1,2-diphenylethyl)-[(3-tert-butylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537316
(2-azanidyl-1,2-diphenylethyl)-[(2,6-difluorophenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537521
(2-azanidyl-1,2-diphenylethyl)-[(4-methoxyphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537286
[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
CID 170545426
(2-azanidyl-1,2-diphenylethyl)-[(3-fluorophenyl)methylsulfonyl]azanide;chlororuthenium(3+);1,3,5,7-tetramethylcyclohepta-1,3,5-triene
CID 163962122
(2-azanidyl-1,2-diphenylethyl)-methylsulfonylazanide;1-methyl-4-propan-2-ylbenzene;ruthenium(2+)
CID 178184233
(2-azanidyl-1,2-diphenylethyl)-(4-methylphenyl)sulfonylazanide;carbanide;1-methyl-4-propan-2-ylbenzene;pyridine;ruthenium(4+);tetrafluoroborate
CID 160907983

Frequently Asked Questions

What is the IUPAC name of (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)?
The IUPAC name of (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene) (CID 159266411) is (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene).
What is the SMILES notation for (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)?
The canonical SMILES for (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene) is CC(C)c1ccccc1CS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.CCc1cc(CC)c(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.CCc1cc(CC)cc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c1.CCc1ccc(CS(=O)(=O)[N-]C(c2ccccc2)C([NH-])c2ccccc2)c(CC)c1.CCc1cccc(CC)c1CS(=O)(=O)[N-]C(c1ccccc1)C([NH-])c1ccccc1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cc1cc(C)cc(C)c1.Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].Cl[Ru+3].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)?
The InChIKey is KXDTTWIKHNTRQD-UHFFFAOYSA-I. The full InChI is InChI=1S/C27H32N2O2S.3C25H28N2O2S.C24H26N2O2S.5C9H12.5CH3.5ClH.5Ru/c1-4-20-17-21(5-2)25(22(6-3)18-20)19-32(30,31)29-27(24-15-11-8-12-16-24)26(28)23-13-9-7-10-14-23;1-3-19-16-11-17-20(4-2)23(19)18-30(28,29)27-25(22-14-9-6-10-15-22)24(26)21-12-7-5-8-13-21;1-3-19-15-20(4-2)17-21(16-19)18-30(28,29)27-25(23-13-9-6-10-14-23)24(26)22-11-7-5-8-12-22;1-3-19-15-16-23(20(4-2)17-19)18-30(28,29)27-25(22-13-9-6-10-14-22)24(26)21-11-7-5-8-12-21;1-18(2)22-16-10-9-15-21(22)17-29(27,28)26-24(20-13-7-4-8-14-20)23(25)19-11-5-3-6-12-19;5*1-7-4-8(2)6-9(3)5-7;;;;;;;;;;;;;;;/h7-18,26-28H,4-6,19H2,1-3H3;3*5-17,24-26H,3-4,18H2,1-2H3;3-16,18,23-25H,17H2,1-2H3;5*4-6H,1-3H3;5*1H3;5*1H;;;;;/q5*-2;;;;;;5*-1;;;;;;5*+4/p-5.
What are the key properties of (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene)?
(2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene) has a molecular weight of 3475.68 g/mol, XLogP of 52.06, 45 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidyl-1,2-diphenylethyl)-[(2,4-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,6-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(3,5-diethylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2-propan-2-ylphenyl)methylsulfonyl]azanide;(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triethylphenyl)methylsulfonyl]azanide;carbanide;pentakis(chlororuthenium(3+));pentakis(1,3,5-trimethylbenzene) is sourced from PubChem (CID 159266411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).