2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane

C34H30I5O6- — CID 169283589

IUPAC2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane
SMILESIc1cc(OC2CCCCO2)c(I)cc1Oc1ccc([I-]c2ccc(Oc3cc(I)c(OC4CCCCO4)cc3I)cc2)cc1
InChIInChI=1S/C34H30I5O6/c35-25-19-31(44-33-5-1-3-15-40-33)27(37)17-29(25)42-23-11-7-21(8-12-23)39-22-9-13-24(14-10-22)43-30-18-28(38)32(20-26(30)36)45-34-6-2-4-16-41-34/h7-14,17-20,33-34H,1-6,15-16H2/q-1
InChIKeyRIPDQEXGIRNPIR-UHFFFAOYSA-N
MW1169.13 g/mol
LogP7.63
Rot. Bonds10

About 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane

2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane (PubChem CID 169283589) has the molecular formula C34H30I5O6- and a molecular weight of 1169.13 g/mol. Its IUPAC name is 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane.

Molecular Properties

Compound Name2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane
PubChem CID169283589
Molecular FormulaC34H30I5O6-
Molecular Weight1169.13 g/mol
Exact Mass1168.73
IUPAC Name2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane
SMILESIc1cc(OC2CCCCO2)c(I)cc1Oc1ccc([I-]c2ccc(Oc3cc(I)c(OC4CCCCO4)cc3I)cc2)cc1
InChIInChI=1S/C34H30I5O6/c35-25-19-31(44-33-5-1-3-15-40-33)27(37)17-29(25)42-23-11-7-21(8-12-23)39-22-9-13-24(14-10-22)43-30-18-28(38)32(20-26(30)36)45-34-6-2-4-16-41-34/h7-14,17-20,33-34H,1-6,15-16H2/q-1
InChIKeyRIPDQEXGIRNPIR-UHFFFAOYSA-N
XLogP7.63
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001169.13
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-bromo-4-iodophenoxy)phenoxy]oxane
CID 171082389
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
4-(oxan-2-yloxy)phenol
CID 11745519
CID 168763543
CID 168763543
2-(3-bromophenoxy)oxane
CID 5067264
2-(3,4-dimethylphenoxy)oxane
CID 10987441
[4-(oxan-2-yloxy)phenyl]methanethiol
CID 11264585
3-iodo-7-(oxan-2-yloxy)chromen-4-one
CID 16756484
2-(2,5-dimethylphenoxy)oxane
CID 15305690
2-[4-(oxan-2-yloxymethyl)phenoxy]oxane
CID 101362561
2-iodo-6-methyl-4-(oxan-2-yloxy)phenol
CID 166783804
4-(oxan-2-yloxy)benzoic acid
CID 11183645

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane?
The IUPAC name of 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane (CID 169283589) is 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane.
What is the SMILES notation for 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane?
The canonical SMILES for 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane is Ic1cc(OC2CCCCO2)c(I)cc1Oc1ccc([I-]c2ccc(Oc3cc(I)c(OC4CCCCO4)cc3I)cc2)cc1.
What is the InChIKey of 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane?
The InChIKey is RIPDQEXGIRNPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30I5O6/c35-25-19-31(44-33-5-1-3-15-40-33)27(37)17-29(25)42-23-11-7-21(8-12-23)39-22-9-13-24(14-10-22)43-30-18-28(38)32(20-26(30)36)45-34-6-2-4-16-41-34/h7-14,17-20,33-34H,1-6,15-16H2/q-1.
What are the key properties of 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane?
2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane has a molecular weight of 1169.13 g/mol, XLogP of 7.63, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[4-[2,5-diiodo-4-(oxan-2-yloxy)phenoxy]phenyl]iodanuidylphenoxy]-2,5-diiodophenoxy]oxane is sourced from PubChem (CID 169283589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).