(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)

C40H35ClN2O2RuS — CID 59537371

IUPAC(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
SMILESCl[Ru+3].[CH3-].[NH-]C(c1ccccc1)C([N-]S(=O)(=O)Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C39H32N2O2S.CH3.ClH.Ru/c40-38(32-22-12-4-13-23-32)39(33-24-14-5-15-25-33)41-44(42,43)28-37-35(30-18-8-2-9-19-30)26-34(29-16-6-1-7-17-29)27-36(37)31-20-10-3-11-21-31;;;/h1-27,38-40H,28H2;1H3;1H;/q-2;-1;;+4/p-1
InChIKeyZXHZIDDESUGNEX-UHFFFAOYSA-M
MW744.32 g/mol
LogP11.56
Rot. Bonds10

About (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)

(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) (PubChem CID 59537371) has the molecular formula C40H35ClN2O2RuS and a molecular weight of 744.32 g/mol. Its IUPAC name is (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+).

Molecular Properties

Compound Name(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
PubChem CID59537371
Molecular FormulaC40H35ClN2O2RuS
Molecular Weight744.32 g/mol
Exact Mass744.12
IUPAC Name(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
SMILESCl[Ru+3].[CH3-].[NH-]C(c1ccccc1)C([N-]S(=O)(=O)Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C39H32N2O2S.CH3.ClH.Ru/c40-38(32-22-12-4-13-23-32)39(33-24-14-5-15-25-33)41-44(42,43)28-37-35(30-18-8-2-9-19-30)26-34(29-16-6-1-7-17-29)27-36(37)31-20-10-3-11-21-31;;;/h1-27,38-40H,28H2;1H3;1H;/q-2;-1;;+4/p-1
InChIKeyZXHZIDDESUGNEX-UHFFFAOYSA-M
XLogP11.56
TPSA72.04 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500744.32
LogP ≤ 511.56
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)-[(2,3,4,5,6-pentamethylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537294
(2-azanidyl-1,2-diphenylethyl)-[[3,5-di(propan-2-yl)phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537399
(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-tert-butylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537316
(2-azanidyl-1,2-diphenylethyl)-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylsulfonyl]azanide;carbanide;chlororuthenium(3+)
CID 59537741
[(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)azanide;carbanide;chlororuthenium(3+)
CID 20778720
CID 24808888
CID 24808888
[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-methylsulfonylazanide;carbanide;iridium;trifluoromethanesulfonate
CID 134940314
[(1S,2S)-2-azanidyl-1,2-diphenylethyl]-[(2,2-dimethyl-7-oxo-1-bicyclo[3.2.0]heptanyl)methylsulfonyl]azanide;chlororhodium(2+)
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Frequently Asked Questions

What is the IUPAC name of (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The IUPAC name of (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) (CID 59537371) is (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+).
What is the SMILES notation for (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The canonical SMILES for (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) is Cl[Ru+3].[CH3-].[NH-]C(c1ccccc1)C([N-]S(=O)(=O)Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1ccccc1.
What is the InChIKey of (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
The InChIKey is ZXHZIDDESUGNEX-UHFFFAOYSA-M. The full InChI is InChI=1S/C39H32N2O2S.CH3.ClH.Ru/c40-38(32-22-12-4-13-23-32)39(33-24-14-5-15-25-33)41-44(42,43)28-37-35(30-18-8-2-9-19-30)26-34(29-16-6-1-7-17-29)27-36(37)31-20-10-3-11-21-31;;;/h1-27,38-40H,28H2;1H3;1H;/q-2;-1;;+4/p-1.
What are the key properties of (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+)?
(2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) has a molecular weight of 744.32 g/mol, XLogP of 11.56, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidyl-1,2-diphenylethyl)-[(2,4,6-triphenylphenyl)methylsulfonyl]azanide;carbanide;chlororuthenium(3+) is sourced from PubChem (CID 59537371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).