benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)

C154H175Cl2I7O25S7 — CID 159182212

IUPACbenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(S(=O)(=O)[O-])c(OC)c1.COc1ccc([I+]c2ccc(OC)cc2)cc1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C14H14IO2.C14H14I.C12H8Cl2I.4C12H10I.2C9H12O3S.C8H10O5S.4C6H6O3S.8C2H6/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-12-6-3-4-8(14(9,10)11)7(5-6)13-2;4*7-10(8,9)6-4-2-1-3-5-6;8*1-2/h3-10H,1-2H3;3-10H,1-2H3;1-8H;4*1-10H;2*4-5H,1-3H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11);4*1-5H,(H,7,8,9);8*1-2H3/q7*+1;;;;;;;;;;;;;;;/p-7
InChIKeyKNATXMMTTOWERL-UHFFFAOYSA-G
MW3609.77 g/mol
LogP14.86
Rot. Bonds25

About benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)

benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate) (PubChem CID 159182212) has the molecular formula C154H175Cl2I7O25S7 and a molecular weight of 3609.77 g/mol. Its IUPAC name is benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate).

Molecular Properties

Compound Namebenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)
PubChem CID159182212
Molecular FormulaC154H175Cl2I7O25S7
Molecular Weight3609.77 g/mol
Exact Mass3606.32
IUPAC Namebenzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(S(=O)(=O)[O-])c(OC)c1.COc1ccc([I+]c2ccc(OC)cc2)cc1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C14H14IO2.C14H14I.C12H8Cl2I.4C12H10I.2C9H12O3S.C8H10O5S.4C6H6O3S.8C2H6/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-12-6-3-4-8(14(9,10)11)7(5-6)13-2;4*7-10(8,9)6-4-2-1-3-5-6;8*1-2/h3-10H,1-2H3;3-10H,1-2H3;1-8H;4*1-10H;2*4-5H,1-3H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11);4*1-5H,(H,7,8,9);8*1-2H3/q7*+1;;;;;;;;;;;;;;;/p-7
InChIKeyKNATXMMTTOWERL-UHFFFAOYSA-G
XLogP14.86
TPSA437.32 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms195
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003609.77
LogP ≤ 514.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate) with MolForge

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Related Compounds

benzenesulfonate;(4-chlorophenyl)-phenyl-(4-phenylsulfanylphenyl)sulfanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyl-(4-phenylsulfanylphenyl)sulfanium);ethane;4-methoxybenzenesulfonate;(4-methylphenyl)-phenyl-(4-phenylsulfanylphenyl)sulfanium;2,4,6-trimethylbenzenesulfonate
CID 158072512
(3-methoxyphenyl)-phenyliodanium;4-methylbenzenesulfonate
CID 10528781
benzenesulfonate;hexakis([4-(4-diphenylsulfoniophenyl)sulfanylphenyl]-diphenylsulfanium);ethane;bis(4-methoxybenzenesulfonate);2,4,6-trimethylbenzenesulfonate
CID 157399821
4-methylbenzenesulfonate;phenyl-(2,4,6-trimethylphenyl)iodanium
CID 172789207
diphenyliodanium;4-(4-methylphenyl)sulfonyloxybenzenesulfonate
CID 18432134
hydroxy-(3-methoxyphenyl)iodanium;4-methylbenzenesulfonate
CID 160869400
[4-[2-(2-methoxyethoxy)ethoxy]phenyl]-phenyliodanium;4-methylbenzenesulfonate
CID 172779485
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
1-chloro-4-methylbenzene;ethane;1-methoxy-4-methylbenzene
CID 145316184
methanesulfonyl chloride;2-methoxybenzenesulfonyl chloride;3-methoxybenzenesulfonyl chloride;4-methoxybenzenesulfonyl chloride;2,4,6-trimethylbenzenesulfonyl chloride
CID 173174525
(2R,3S)-4,6-dimethoxy-2-methyl-1-(4-methylphenyl)sulfonyl-3-phenyl-2,3-dihydroindole
CID 102385769
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256

Frequently Asked Questions

What is the IUPAC name of benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)?
The IUPAC name of benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate) (CID 159182212) is benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate).
What is the SMILES notation for benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)?
The canonical SMILES for benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate) is CC.CC.CC.CC.CC.CC.CC.CC.COc1ccc(S(=O)(=O)[O-])c(OC)c1.COc1ccc([I+]c2ccc(OC)cc2)cc1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1cc(C)c(S(=O)(=O)[O-])c(C)c1.Cc1ccc([I+]c2ccc(C)cc2)cc1.Clc1ccc([I+]c2ccc(Cl)cc2)cc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.O=S(=O)([O-])c1ccccc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)?
The InChIKey is KNATXMMTTOWERL-UHFFFAOYSA-G. The full InChI is InChI=1S/C14H14IO2.C14H14I.C12H8Cl2I.4C12H10I.2C9H12O3S.C8H10O5S.4C6H6O3S.8C2H6/c1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12;4*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;2*1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-12-6-3-4-8(14(9,10)11)7(5-6)13-2;4*7-10(8,9)6-4-2-1-3-5-6;8*1-2/h3-10H,1-2H3;3-10H,1-2H3;1-8H;4*1-10H;2*4-5H,1-3H3,(H,10,11,12);3-5H,1-2H3,(H,9,10,11);4*1-5H,(H,7,8,9);8*1-2H3/q7*+1;;;;;;;;;;;;;;;/p-7.
What are the key properties of benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate)?
benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate) has a molecular weight of 3609.77 g/mol, XLogP of 14.86, 25 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonate;bis(4-chlorophenyl)iodanium;bis(4-methoxyphenyl)iodanium;bis(4-methylphenyl)iodanium;2,4-dimethoxybenzenesulfonate;tetrakis(diphenyliodanium);ethane;bis(2,4,6-trimethylbenzenesulfonate) is sourced from PubChem (CID 159182212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).