bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium

C101H92Br3I7O15S4+4 — CID 158857870

IUPACbis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium
SMILESCC(C)(I)C(=O)CCCOC(=O)c1ccc([S+](c2ccc(I)cc2)c2ccc(I)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccccc2)c2ccc(Br)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccccc2)c2ccc(I)cc2)cc1
InChIInChI=1S/C26H24I3O3S.C25H22Br2IO4S.C25H23BrIO4S.C25H23I2O4S/c1-26(2,29)24(30)4-3-17-32-25(31)18-5-11-21(12-6-18)33(22-13-7-19(27)8-14-22)23-15-9-20(28)10-16-23;1-25(2,28)24(30)32-16-15-31-23(29)17-3-9-20(10-4-17)33(21-11-5-18(26)6-12-21)22-13-7-19(27)8-14-22;2*1-25(2,27)24(29)31-17-16-30-23(28)18-8-12-21(13-9-18)32(20-6-4-3-5-7-20)22-14-10-19(26)11-15-22/h5-16H,3-4,17H2,1-2H3;3-14H,15-16H2,1-2H3;2*3-15H,16-17H2,1-2H3/q4*+1
InChIKeyJAHAPJDQISCKKN-UHFFFAOYSA-N
MW2802.14 g/mol
LogP27.69
Rot. Bonds33

About bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium

bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium (PubChem CID 158857870) has the molecular formula C101H92Br3I7O15S4+4 and a molecular weight of 2802.14 g/mol. Its IUPAC name is bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium.

Molecular Properties

Compound Namebis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium
PubChem CID158857870
Molecular FormulaC101H92Br3I7O15S4+4
Molecular Weight2802.14 g/mol
Exact Mass2797.62
IUPAC Namebis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium
SMILESCC(C)(I)C(=O)CCCOC(=O)c1ccc([S+](c2ccc(I)cc2)c2ccc(I)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccccc2)c2ccc(Br)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccccc2)c2ccc(I)cc2)cc1
InChIInChI=1S/C26H24I3O3S.C25H22Br2IO4S.C25H23BrIO4S.C25H23I2O4S/c1-26(2,29)24(30)4-3-17-32-25(31)18-5-11-21(12-6-18)33(22-13-7-19(27)8-14-22)23-15-9-20(28)10-16-23;1-25(2,28)24(30)32-16-15-31-23(29)17-3-9-20(10-4-17)33(21-11-5-18(26)6-12-21)22-13-7-19(27)8-14-22;2*1-25(2,27)24(29)31-17-16-30-23(28)18-8-12-21(13-9-18)32(20-6-4-3-5-7-20)22-14-10-19(26)11-15-22/h5-16H,3-4,17H2,1-2H3;3-14H,15-16H2,1-2H3;2*3-15H,16-17H2,1-2H3/q4*+1
InChIKeyJAHAPJDQISCKKN-UHFFFAOYSA-N
XLogP27.69
TPSA201.17 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds33
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002802.14
LogP ≤ 527.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium with MolForge

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Related Compounds

[4-[2-(2-iodoacetyl)oxyethoxycarbonyl]phenyl]-diphenylsulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-diphenylsulfanium;[4-[3-(2-iodo-2-methylpropanoyl)oxypropoxycarbonyl]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxycarbonyl]phenyl]-bis(4-methylphenyl)sulfanium;[4-[2-(2-iodopropanoyloxy)ethoxycarbonyl]phenyl]-diphenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxycarbonyl]phenyl]-(4-methylphenyl)-phenylsulfanium;[4-[2-(2-iodopropanoyloxy)ethoxycarbonyl]phenyl]-phenyl-(4-propan-2-ylphenyl)sulfanium
CID 160838368
diphenyl-(4-propoxycarbonylphenyl)sulfanium
CID 164747685
[3-(2-ethoxyethoxy)-3-oxopropyl] 4-iodobenzoate
CID 125468929
octadecyl 4-bromobenzoate
CID 543643
hexadecyl 4-iodobenzoate
CID 68623259
diphenyl-[4-[2-[4-(2,3,6-triiodobenzoyl)oxybutanoyloxy]propan-2-yl]phenyl]sulfanium
CID 153464125
[4-[1-(2-iodo-2-methylpropanoyl)oxypropan-2-yloxy]phenyl]-diphenylsulfanium
CID 156684299
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
[4-[2-(3-bromo-5-iodobenzoyl)oxypropan-2-yl]phenyl]-diphenylsulfanium;[4-[2-(5-bromo-2-iodobenzoyl)oxypropan-2-yl]phenyl]-diphenylsulfanium;diphenyl-[4-[2-[4-(2,3,6-triiodobenzoyl)oxybutanoyloxy]propan-2-yl]phenyl]sulfanium;diphenyl-[4-[2-[3-(2,3,6-triiodobenzoyl)oxypropanoyloxy]propan-2-yl]phenyl]sulfanium
CID 157342785
4,4-dimethylpentyl benzoate
CID 138733970
4-chlorobutyl 4-bromobenzoate
CID 16743393
[4-(2,2,3,3,3-pentafluoropropoxycarbonyl)phenyl]-diphenylsulfanium
CID 164746595

Frequently Asked Questions

What is the IUPAC name of bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium?
The IUPAC name of bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium (CID 158857870) is bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium.
What is the SMILES notation for bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium?
The canonical SMILES for bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium is CC(C)(I)C(=O)CCCOC(=O)c1ccc([S+](c2ccc(I)cc2)c2ccc(I)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccc(Br)cc2)c2ccc(Br)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccccc2)c2ccc(Br)cc2)cc1.CC(C)(I)C(=O)OCCOC(=O)c1ccc([S+](c2ccccc2)c2ccc(I)cc2)cc1.
What is the InChIKey of bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium?
The InChIKey is JAHAPJDQISCKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24I3O3S.C25H22Br2IO4S.C25H23BrIO4S.C25H23I2O4S/c1-26(2,29)24(30)4-3-17-32-25(31)18-5-11-21(12-6-18)33(22-13-7-19(27)8-14-22)23-15-9-20(28)10-16-23;1-25(2,28)24(30)32-16-15-31-23(29)17-3-9-20(10-4-17)33(21-11-5-18(26)6-12-21)22-13-7-19(27)8-14-22;2*1-25(2,27)24(29)31-17-16-30-23(28)18-8-12-21(13-9-18)32(20-6-4-3-5-7-20)22-14-10-19(26)11-15-22/h5-16H,3-4,17H2,1-2H3;3-14H,15-16H2,1-2H3;2*3-15H,16-17H2,1-2H3/q4*+1.
What are the key properties of bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium?
bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium has a molecular weight of 2802.14 g/mol, XLogP of 27.69, 33 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]sulfanium;(4-bromophenyl)-[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-phenylsulfanium;[4-(5-iodo-5-methyl-4-oxohexoxy)carbonylphenyl]-bis(4-iodophenyl)sulfanium;[4-[2-(2-iodo-2-methylpropanoyl)oxyethoxycarbonyl]phenyl]-(4-iodophenyl)-phenylsulfanium is sourced from PubChem (CID 158857870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).