iodo(tricyclohexylphosphaniumyl)boranuide

C18H35BIP — CID 134904418

IUPACiodo(tricyclohexylphosphaniumyl)boranuide
SMILESI[BH2-][P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35BIP/c20-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15,19H2
InChIKeyBXFQRTALHGSLST-UHFFFAOYSA-N
MW420.17 g/mol
LogP6.44
Rot. Bonds4

About iodo(tricyclohexylphosphaniumyl)boranuide

iodo(tricyclohexylphosphaniumyl)boranuide (PubChem CID 134904418) has the molecular formula C18H35BIP and a molecular weight of 420.17 g/mol. Its IUPAC name is iodo(tricyclohexylphosphaniumyl)boranuide.

Molecular Properties

Compound Nameiodo(tricyclohexylphosphaniumyl)boranuide
PubChem CID134904418
Molecular FormulaC18H35BIP
Molecular Weight420.17 g/mol
Exact Mass420.16
IUPAC Nameiodo(tricyclohexylphosphaniumyl)boranuide
SMILESI[BH2-][P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H35BIP/c20-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15,19H2
InChIKeyBXFQRTALHGSLST-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.17
LogP ≤ 56.44
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodo(tricyclohexylphosphaniumyl)boranuide?
The IUPAC name of iodo(tricyclohexylphosphaniumyl)boranuide (CID 134904418) is iodo(tricyclohexylphosphaniumyl)boranuide.
What is the SMILES notation for iodo(tricyclohexylphosphaniumyl)boranuide?
The canonical SMILES for iodo(tricyclohexylphosphaniumyl)boranuide is I[BH2-][P+](C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of iodo(tricyclohexylphosphaniumyl)boranuide?
The InChIKey is BXFQRTALHGSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35BIP/c20-19-21(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-18H,1-15,19H2.
What are the key properties of iodo(tricyclohexylphosphaniumyl)boranuide?
iodo(tricyclohexylphosphaniumyl)boranuide has a molecular weight of 420.17 g/mol, XLogP of 6.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(tricyclohexylphosphaniumyl)boranuide is sourced from PubChem (CID 134904418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).