butyl(triphenyl)boranuide;diphenyliodanium

C34H34BI — CID 10962913

IUPACbutyl(triphenyl)boranuide;diphenyliodanium
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C22H24B.C12H10I/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-18H,2-3,19H2,1H3;1-10H/q-1;+1
InChIKeyFNRMRBNXJHBVLS-UHFFFAOYSA-N
MW580.36 g/mol
LogP3.77
Rot. Bonds8

About butyl(triphenyl)boranuide;diphenyliodanium

butyl(triphenyl)boranuide;diphenyliodanium (PubChem CID 10962913) has the molecular formula C34H34BI and a molecular weight of 580.36 g/mol. Its IUPAC name is butyl(triphenyl)boranuide;diphenyliodanium.

Molecular Properties

Compound Namebutyl(triphenyl)boranuide;diphenyliodanium
PubChem CID10962913
Molecular FormulaC34H34BI
Molecular Weight580.36 g/mol
Exact Mass580.18
IUPAC Namebutyl(triphenyl)boranuide;diphenyliodanium
SMILESCCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc([I+]c2ccccc2)cc1
InChIInChI=1S/C22H24B.C12H10I/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-18H,2-3,19H2,1H3;1-10H/q-1;+1
InChIKeyFNRMRBNXJHBVLS-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500580.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

lithium butyl(triphenyl)boranuide
CID 23668465
benzyl(dimethyl)sulfanium;butyl(triphenyl)boranuide
CID 18982460
butyl(triphenyl)boranuide;trifluoromethanesulfonic acid
CID 171925808
butyl(triphenyl)boranuide;2-hydroxyethyl(dimethyl)azanium
CID 140843246
butyl(triphenyl)boranuide;ethoxy-methyl-phenylsulfanium
CID 19047913
(4-octylphenyl)-phenyliodanium
CID 16696664
butyl-tris(4-methylphenyl)boranuide
CID 18400281
butyl-phenoxy-phenylsulfanium;butyl(triphenyl)boranuide
CID 19047905
(3-fluorophenyl)-hexyl-diphenylboranuide
CID 176748764
butyl-tris(3-methylphenyl)boranuide
CID 139835830
(4-octylperoxyphenyl)-phenyliodanium
CID 20722055
magnesium bis(butyl(trinaphthalen-2-yl)boranuide)
CID 19598559

Frequently Asked Questions

What is the IUPAC name of butyl(triphenyl)boranuide;diphenyliodanium?
The IUPAC name of butyl(triphenyl)boranuide;diphenyliodanium (CID 10962913) is butyl(triphenyl)boranuide;diphenyliodanium.
What is the SMILES notation for butyl(triphenyl)boranuide;diphenyliodanium?
The canonical SMILES for butyl(triphenyl)boranuide;diphenyliodanium is CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc([I+]c2ccccc2)cc1.
What is the InChIKey of butyl(triphenyl)boranuide;diphenyliodanium?
The InChIKey is FNRMRBNXJHBVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24B.C12H10I/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-18H,2-3,19H2,1H3;1-10H/q-1;+1.
What are the key properties of butyl(triphenyl)boranuide;diphenyliodanium?
butyl(triphenyl)boranuide;diphenyliodanium has a molecular weight of 580.36 g/mol, XLogP of 3.77, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(triphenyl)boranuide;diphenyliodanium is sourced from PubChem (CID 10962913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).