argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene

C24H29ArClN2O2RuS — CID 159955748

IUPACargon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.Cl[Ru+3].O=S=O.[Ar].[CH3-].[NH-]C(c1ccccc1)[C@@H]([NH-])c1ccccc1
InChIInChI=1S/C14H14N2.C9H12.CH3.Ar.ClH.O2S.Ru/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-7-4-8(2)6-9(3)5-7;;;;1-3-2;/h1-10,13-16H;4-6H,1-3H3;1H3;;1H;;/q-2;;-1;;;;+4/p-1/t13-,14?;;;;;;/m0....../s1
InChIKeyOCRPPBCDZZPCMH-STRGIVGBSA-M
MW586.05 g/mol
LogP7.65
Rot. Bonds3

About argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene

argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene (PubChem CID 159955748) has the molecular formula C24H29ArClN2O2RuS and a molecular weight of 586.05 g/mol. Its IUPAC name is argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene.

Molecular Properties

Compound Nameargon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene
PubChem CID159955748
Molecular FormulaC24H29ArClN2O2RuS
Molecular Weight586.05 g/mol
Exact Mass586.03
IUPAC Nameargon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene
SMILESCc1cc(C)cc(C)c1.Cl[Ru+3].O=S=O.[Ar].[CH3-].[NH-]C(c1ccccc1)[C@@H]([NH-])c1ccccc1
InChIInChI=1S/C14H14N2.C9H12.CH3.Ar.ClH.O2S.Ru/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-7-4-8(2)6-9(3)5-7;;;;1-3-2;/h1-10,13-16H;4-6H,1-3H3;1H3;;1H;;/q-2;;-1;;;;+4/p-1/t13-,14?;;;;;;/m0....../s1
InChIKeyOCRPPBCDZZPCMH-STRGIVGBSA-M
XLogP7.65
TPSA81.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.05
LogP ≤ 57.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-azanidyl-1,2-diphenylethyl)azanide;carbanide;chlororuthenium(3+)
CID 20778720
[(2S)-2-azanidyl-1,2-diphenylethyl]-(2,4,6-trimethylphenyl)sulfonylazanide;carbanide;chlororuthenium(3+)
CID 170545426
1-[(3,5-dimethylphenyl)-phenylmethyl]-3,5-dimethylbenzene;ethane
CID 145412167
(2-azanidyl-1,2-diphenylethyl)-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537294
chlorobenzene;1,3,5-trimethylbenzene
CID 160520225
CID 24853985
CID 24853985
2-[(3,5-dimethylphenyl)methylsulfanyl]-1-phenylethanol
CID 78977116
[(1R,2R)-2-azanidyl-1,2-diphenylethyl]azanide;[4-[5-bis(3,5-dimethylphenyl)phosphaniumyl-1,3-benzodioxol-4-yl]-1,3-benzodioxol-5-yl]-bis(3,5-dimethylphenyl)phosphanium;dichlororuthenium(2+)
CID 163196562
(2-azanidyl-1,2-diphenylethyl)-[[3,5-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537399
1-[bromo(phenyl)methyl]-3-chloro-5-methylbenzene
CID 81324401
iodobenzene;1,3,5-trimethylbenzene;hydrobromide
CID 175079627
1-(3,5-dimethylphenyl)-2-phenylsulfanylethanol
CID 65142018

Frequently Asked Questions

What is the IUPAC name of argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene?
The IUPAC name of argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene (CID 159955748) is argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene.
What is the SMILES notation for argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene?
The canonical SMILES for argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene is Cc1cc(C)cc(C)c1.Cl[Ru+3].O=S=O.[Ar].[CH3-].[NH-]C(c1ccccc1)[C@@H]([NH-])c1ccccc1.
What is the InChIKey of argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene?
The InChIKey is OCRPPBCDZZPCMH-STRGIVGBSA-M. The full InChI is InChI=1S/C14H14N2.C9H12.CH3.Ar.ClH.O2S.Ru/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;1-7-4-8(2)6-9(3)5-7;;;;1-3-2;/h1-10,13-16H;4-6H,1-3H3;1H3;;1H;;/q-2;;-1;;;;+4/p-1/t13-,14?;;;;;;/m0....../s1.
What are the key properties of argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene?
argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene has a molecular weight of 586.05 g/mol, XLogP of 7.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for argon;[(1S)-2-azanidyl-1,2-diphenylethyl]azanide;carbanide;chlororuthenium(3+);sulfur dioxide;1,3,5-trimethylbenzene is sourced from PubChem (CID 159955748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).