carbanide;diphenyliodanium;ethane;triphenylsulfanium

C41H58IS+ — CID 162244190

IUPACcarbanide;diphenyliodanium;ethane;triphenylsulfanium
SMILESCC.CC.CC.CC.CC.[CH3-].c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C12H10I.5C2H6.CH3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5*1-2;/h1-15H;1-10H;5*1-2H3;1H3/q2*+1;;;;;;-1
InChIKeyZXCLVPXRNJCYIX-UHFFFAOYSA-N
MW709.89 g/mol
LogP10.18
Rot. Bonds5

About carbanide;diphenyliodanium;ethane;triphenylsulfanium

carbanide;diphenyliodanium;ethane;triphenylsulfanium (PubChem CID 162244190) has the molecular formula C41H58IS+ and a molecular weight of 709.89 g/mol. Its IUPAC name is carbanide;diphenyliodanium;ethane;triphenylsulfanium.

Molecular Properties

Compound Namecarbanide;diphenyliodanium;ethane;triphenylsulfanium
PubChem CID162244190
Molecular FormulaC41H58IS+
Molecular Weight709.89 g/mol
Exact Mass709.33
IUPAC Namecarbanide;diphenyliodanium;ethane;triphenylsulfanium
SMILESCC.CC.CC.CC.CC.[CH3-].c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C18H15S.C12H10I.5C2H6.CH3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5*1-2;/h1-15H;1-10H;5*1-2H3;1H3/q2*+1;;;;;;-1
InChIKeyZXCLVPXRNJCYIX-UHFFFAOYSA-N
XLogP10.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.89
LogP ≤ 510.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

diphenyliodanium;ethane;methane
CID 159636739
bis(4-tert-butylphenyl)iodanium;ethane;triphenylsulfanium
CID 87387831
diphenyliodanium;hydroiodide
CID 54604341
diphenyliodanium;bis(tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide);triphenylsulfanium
CID 140508798
diphenyl-[4-(4-phenyliodoniophenoxy)phenyl]sulfanium diperchlorate
CID 87706296
benzene;bis(diphenyliodanium);ethane;fluoromethane;methane;methanol;propane;dichloride
CID 163918485
bis(4-tert-butylphenyl)iodanium;bis(trifluoromethanesulfonate);triphenylsulfanium
CID 161153054
ethane;2-methylbutane;triphenylsulfanium
CID 165080585
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methylphenyl)-diphenylsulfanium bromide
CID 23133059
[4-[4-(2-methylphenyl)iodoniophenyl]sulfanylphenyl]-diphenylsulfanium
CID 87705946
(4-bromophenyl)-phenyliodanium
CID 6332504

Frequently Asked Questions

What is the IUPAC name of carbanide;diphenyliodanium;ethane;triphenylsulfanium?
The IUPAC name of carbanide;diphenyliodanium;ethane;triphenylsulfanium (CID 162244190) is carbanide;diphenyliodanium;ethane;triphenylsulfanium.
What is the SMILES notation for carbanide;diphenyliodanium;ethane;triphenylsulfanium?
The canonical SMILES for carbanide;diphenyliodanium;ethane;triphenylsulfanium is CC.CC.CC.CC.CC.[CH3-].c1ccc([I+]c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of carbanide;diphenyliodanium;ethane;triphenylsulfanium?
The InChIKey is ZXCLVPXRNJCYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15S.C12H10I.5C2H6.CH3/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;5*1-2;/h1-15H;1-10H;5*1-2H3;1H3/q2*+1;;;;;;-1.
What are the key properties of carbanide;diphenyliodanium;ethane;triphenylsulfanium?
carbanide;diphenyliodanium;ethane;triphenylsulfanium has a molecular weight of 709.89 g/mol, XLogP of 10.18, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;diphenyliodanium;ethane;triphenylsulfanium is sourced from PubChem (CID 162244190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).