[4-(dibutylamino)phenyl]-triphenylphosphanium

C32H37NP+ — CID 102170052

IUPAC[4-(dibutylamino)phenyl]-triphenylphosphanium
SMILESCCCCN(CCCC)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H37NP/c1-3-5-26-33(27-6-4-2)28-22-24-32(25-23-28)34(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-25H,3-6,26-27H2,1-2H3/q+1
InChIKeyMIXRVSPDPARCGY-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.71
Rot. Bonds11

About [4-(dibutylamino)phenyl]-triphenylphosphanium

[4-(dibutylamino)phenyl]-triphenylphosphanium (PubChem CID 102170052) has the molecular formula C32H37NP+ and a molecular weight of 466.63 g/mol. Its IUPAC name is [4-(dibutylamino)phenyl]-triphenylphosphanium.

Molecular Properties

Compound Name[4-(dibutylamino)phenyl]-triphenylphosphanium
PubChem CID102170052
Molecular FormulaC32H37NP+
Molecular Weight466.63 g/mol
Exact Mass466.27
IUPAC Name[4-(dibutylamino)phenyl]-triphenylphosphanium
SMILESCCCCN(CCCC)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C32H37NP/c1-3-5-26-33(27-6-4-2)28-22-24-32(25-23-28)34(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-25H,3-6,26-27H2,1-2H3/q+1
InChIKeyMIXRVSPDPARCGY-UHFFFAOYSA-N
XLogP6.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(dibutylamino)phenyl]-triphenylphosphanium?
The IUPAC name of [4-(dibutylamino)phenyl]-triphenylphosphanium (CID 102170052) is [4-(dibutylamino)phenyl]-triphenylphosphanium.
What is the SMILES notation for [4-(dibutylamino)phenyl]-triphenylphosphanium?
The canonical SMILES for [4-(dibutylamino)phenyl]-triphenylphosphanium is CCCCN(CCCC)c1ccc([P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [4-(dibutylamino)phenyl]-triphenylphosphanium?
The InChIKey is MIXRVSPDPARCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37NP/c1-3-5-26-33(27-6-4-2)28-22-24-32(25-23-28)34(29-16-10-7-11-17-29,30-18-12-8-13-19-30)31-20-14-9-15-21-31/h7-25H,3-6,26-27H2,1-2H3/q+1.
What are the key properties of [4-(dibutylamino)phenyl]-triphenylphosphanium?
[4-(dibutylamino)phenyl]-triphenylphosphanium has a molecular weight of 466.63 g/mol, XLogP of 6.71, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dibutylamino)phenyl]-triphenylphosphanium is sourced from PubChem (CID 102170052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).