[4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium

C127H100I9O5S5+5 — CID 167676232

IUPAC[4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium
SMILESCC(C)(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(I)cc1.Ic1cc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc(I)c1I.Ic1cc(I)cc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c1.Ic1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1I.Ic1cccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C27H24IOS.C25H18I3OS.2C25H19I2OS.C25H20IOS/c1-27(2,21-13-15-22(28)16-14-21)29-23-17-19-26(20-18-23)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25;26-23-15-18(16-24(27)25(23)28)17-29-19-11-13-22(14-12-19)30(20-7-3-1-4-8-20)21-9-5-2-6-10-21;26-24-16-11-19(17-25(24)27)18-28-20-12-14-23(15-13-20)29(21-7-3-1-4-8-21)22-9-5-2-6-10-22;26-20-15-19(16-21(27)17-20)18-28-22-11-13-25(14-12-22)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24;26-21-9-7-8-20(18-21)19-27-22-14-16-25(17-15-22)28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h3-20H,1-2H3;1-16H,17H2;2*1-17H,18H2;1-18H,19H2/q5*+1
InChIKeyUVVPEZSOSMBYTD-UHFFFAOYSA-N
MW3008.66 g/mol
LogP37.98
Rot. Bonds30

About [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium

[4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium (PubChem CID 167676232) has the molecular formula C127H100I9O5S5+5 and a molecular weight of 3008.66 g/mol. Its IUPAC name is [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium
PubChem CID167676232
Molecular FormulaC127H100I9O5S5+5
Molecular Weight3008.66 g/mol
Exact Mass3006.75
IUPAC Name[4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium
SMILESCC(C)(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(I)cc1.Ic1cc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc(I)c1I.Ic1cc(I)cc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c1.Ic1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1I.Ic1cccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c1
InChIInChI=1S/C27H24IOS.C25H18I3OS.2C25H19I2OS.C25H20IOS/c1-27(2,21-13-15-22(28)16-14-21)29-23-17-19-26(20-18-23)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25;26-23-15-18(16-24(27)25(23)28)17-29-19-11-13-22(14-12-19)30(20-7-3-1-4-8-20)21-9-5-2-6-10-21;26-24-16-11-19(17-25(24)27)18-28-20-12-14-23(15-13-20)29(21-7-3-1-4-8-21)22-9-5-2-6-10-22;26-20-15-19(16-21(27)17-20)18-28-22-11-13-25(14-12-22)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24;26-21-9-7-8-20(18-21)19-27-22-14-16-25(17-15-22)28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h3-20H,1-2H3;1-16H,17H2;2*1-17H,18H2;1-18H,19H2/q5*+1
InChIKeyUVVPEZSOSMBYTD-UHFFFAOYSA-N
XLogP37.98
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms146
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003008.66
LogP ≤ 537.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium with MolForge

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Related Compounds

[4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium
CID 165155217
[4-[(4-iodophenyl)methoxy]phenyl]-bis(4-methylphenyl)sulfanium
CID 165155230
2-[4-[[3-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]phenyl]methoxy]phenyl]ethanamine
CID 20685417
2,6-diiodo-4-[(4-phenylmethoxyphenyl)methyl]phenol
CID 54243876
[4-[(4-iodophenyl)methoxymethyl]phenyl]-diphenylsulfanium
CID 165155213
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
bis[4-[(2-methylpropan-2-yl)oxy]phenyl]-[4-(pyridin-4-ylmethoxy)phenyl]sulfanium
CID 22290204
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
[4-[(3-iodophenyl)methoxy]phenyl]methyl-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxopropan-2-yl]carbamic acid
CID 129073303
4-benzylbenzenesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium
CID 18469762
1-[4-[(3-iodophenyl)methoxy]-2-methylphenyl]ethanone
CID 91864314

Frequently Asked Questions

What is the IUPAC name of [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium?
The IUPAC name of [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium (CID 167676232) is [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium.
What is the SMILES notation for [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium?
The canonical SMILES for [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium is CC(C)(Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1)c1ccc(I)cc1.Ic1cc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc(I)c1I.Ic1cc(I)cc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c1.Ic1ccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1I.Ic1cccc(COc2ccc([S+](c3ccccc3)c3ccccc3)cc2)c1.
What is the InChIKey of [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium?
The InChIKey is UVVPEZSOSMBYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24IOS.C25H18I3OS.2C25H19I2OS.C25H20IOS/c1-27(2,21-13-15-22(28)16-14-21)29-23-17-19-26(20-18-23)30(24-9-5-3-6-10-24)25-11-7-4-8-12-25;26-23-15-18(16-24(27)25(23)28)17-29-19-11-13-22(14-12-19)30(20-7-3-1-4-8-20)21-9-5-2-6-10-21;26-24-16-11-19(17-25(24)27)18-28-20-12-14-23(15-13-20)29(21-7-3-1-4-8-21)22-9-5-2-6-10-22;26-20-15-19(16-21(27)17-20)18-28-22-11-13-25(14-12-22)29(23-7-3-1-4-8-23)24-9-5-2-6-10-24;26-21-9-7-8-20(18-21)19-27-22-14-16-25(17-15-22)28(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h3-20H,1-2H3;1-16H,17H2;2*1-17H,18H2;1-18H,19H2/q5*+1.
What are the key properties of [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium?
[4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium has a molecular weight of 3008.66 g/mol, XLogP of 37.98, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,4-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[(3,5-diiodophenyl)methoxy]phenyl]-diphenylsulfanium;diphenyl-[4-[(3,4,5-triiodophenyl)methoxy]phenyl]sulfanium;[4-[(3-iodophenyl)methoxy]phenyl]-diphenylsulfanium;[4-[2-(4-iodophenyl)propan-2-yloxy]phenyl]-diphenylsulfanium is sourced from PubChem (CID 167676232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).