bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

C64H46BF24IO2 — CID 139729164

IUPACbis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESFC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.c1cc(C2CCCCC2)ccc1-c1ccc([I+]c2ccc(-c3ccc(C4CCCCC4)cc3)o2)o1
InChIInChI=1S/C32H12BF24.C32H34IO2/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-31(34-29)33-32-22-20-30(35-32)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-12H;11-24H,1-10H2/q-1;+1
InChIKeyUFPDVYJRPXZRPJ-UHFFFAOYSA-N
MW1440.74 g/mol
LogP17.64
Rot. Bonds10

About bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide

bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (PubChem CID 139729164) has the molecular formula C64H46BF24IO2 and a molecular weight of 1440.74 g/mol. Its IUPAC name is bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.

Molecular Properties

Compound Namebis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
PubChem CID139729164
Molecular FormulaC64H46BF24IO2
Molecular Weight1440.74 g/mol
Exact Mass1440.23
IUPAC Namebis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
SMILESFC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.c1cc(C2CCCCC2)ccc1-c1ccc([I+]c2ccc(-c3ccc(C4CCCCC4)cc3)o2)o1
InChIInChI=1S/C32H12BF24.C32H34IO2/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-31(34-29)33-32-22-20-30(35-32)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-12H;11-24H,1-10H2/q-1;+1
InChIKeyUFPDVYJRPXZRPJ-UHFFFAOYSA-N
XLogP17.64
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001440.74
LogP ≤ 517.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The IUPAC name of bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide (CID 139729164) is bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide.
What is the SMILES notation for bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The canonical SMILES for bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1.c1cc(C2CCCCC2)ccc1-c1ccc([I+]c2ccc(-c3ccc(C4CCCCC4)cc3)o2)o1.
What is the InChIKey of bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
The InChIKey is UFPDVYJRPXZRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H12BF24.C32H34IO2/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-3-7-23(8-4-1)25-11-15-27(16-12-25)29-19-21-31(34-29)33-32-22-20-30(35-32)28-17-13-26(14-18-28)24-9-5-2-6-10-24/h1-12H;11-24H,1-10H2/q-1;+1.
What are the key properties of bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide?
bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide has a molecular weight of 1440.74 g/mol, XLogP of 17.64, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis[5-(4-cyclohexylphenyl)furan-2-yl]iodanium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide is sourced from PubChem (CID 139729164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).