octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)

C112H112B4F4I8O24 — CID 173216110

IUPACoctakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
SMILESCOc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C14H14IO2.4BFO2/c8*1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;4*2-1(3)4/h8*3-10H,1-2H3;;;;/q8*+1;4*-2
InChIKeyQIEIORKLVLTKHI-UHFFFAOYSA-N
MW2976.58 g/mol
LogP-10.70
Rot. Bonds32

About octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)

octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane) (PubChem CID 173216110) has the molecular formula C112H112B4F4I8O24 and a molecular weight of 2976.58 g/mol. Its IUPAC name is octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane).

Molecular Properties

Compound Nameoctakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
PubChem CID173216110
Molecular FormulaC112H112B4F4I8O24
Molecular Weight2976.58 g/mol
Exact Mass2976.02
IUPAC Nameoctakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)
SMILESCOc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F
InChIInChI=1S/8C14H14IO2.4BFO2/c8*1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;4*2-1(3)4/h8*3-10H,1-2H3;;;;/q8*+1;4*-2
InChIKeyQIEIORKLVLTKHI-UHFFFAOYSA-N
XLogP-10.70
TPSA332.16 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002976.58
LogP ≤ 5-10.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

bis(4-methoxyphenyl)iodanium;hydrobromide
CID 54610326
(4-methoxyphenyl)-(4-phenyliodoniophenyl)iodanium
CID 10259813
(4-methoxyphenyl)-phenyliodanium bromide
CID 11058256
CID 173148685
CID 173148685
[4-(hydroxymethyl)phenyl]-(4-methoxyphenyl)iodanium
CID 87105153
(4-methoxyphenyl)-pyridin-3-yliodanium
CID 24871781
(4-methoxyphenyl)-(2,4,6-trimethoxyphenyl)iodanium
CID 122206249
fluoro(dioxido)borane;bis(2,4,6-tris(4-methoxyphenyl)thiopyrylium)
CID 88633476
[6-(chloromethyl)naphthalen-2-yl]-(4-methoxyphenyl)iodanium
CID 71814531
(4-methoxyphenyl)-(2,4,6-trimethylphenyl)iodanium
CID 10766616
dipotassium;(4-methoxyphenyl)-dioxidoborane
CID 163211684
(4-methoxyphenyl)-(3-phenyliodonio-2-bicyclo[2.2.1]hepta-2,5-dienyl)iodanium
CID 157388486

Frequently Asked Questions

What is the IUPAC name of octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)?
The IUPAC name of octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane) (CID 173216110) is octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane).
What is the SMILES notation for octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)?
The canonical SMILES for octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane) is COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.COc1ccc([I+]c2ccc(OC)cc2)cc1.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.[O-]B([O-])F.
What is the InChIKey of octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)?
The InChIKey is QIEIORKLVLTKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/8C14H14IO2.4BFO2/c8*1-16-13-7-3-11(4-8-13)15-12-5-9-14(17-2)10-6-12;4*2-1(3)4/h8*3-10H,1-2H3;;;;/q8*+1;4*-2.
What are the key properties of octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane)?
octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane) has a molecular weight of 2976.58 g/mol, XLogP of -10.70, 32 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for octakis(bis(4-methoxyphenyl)iodanium);tetrakis(fluoro(dioxido)borane) is sourced from PubChem (CID 173216110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).