triphenyl(3-phenylpropyl)phosphanium

C27H26P+ — CID 500003

IUPACtriphenyl(3-phenylpropyl)phosphanium
SMILESc1ccc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27/h1-12,14-15,17-22H,13,16,23H2/q+1
InChIKeyYEWDWCMFWXAKLL-UHFFFAOYSA-N
MW381.48 g/mol
LogP5.61
Rot. Bonds7

About triphenyl(3-phenylpropyl)phosphanium

triphenyl(3-phenylpropyl)phosphanium (PubChem CID 500003) has the molecular formula C27H26P+ and a molecular weight of 381.48 g/mol. Its IUPAC name is triphenyl(3-phenylpropyl)phosphanium.

Molecular Properties

Compound Nametriphenyl(3-phenylpropyl)phosphanium
PubChem CID500003
Molecular FormulaC27H26P+
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Nametriphenyl(3-phenylpropyl)phosphanium
SMILESc1ccc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H26P/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27/h1-12,14-15,17-22H,13,16,23H2/q+1
InChIKeyYEWDWCMFWXAKLL-UHFFFAOYSA-N
XLogP5.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of triphenyl(3-phenylpropyl)phosphanium?
The IUPAC name of triphenyl(3-phenylpropyl)phosphanium (CID 500003) is triphenyl(3-phenylpropyl)phosphanium.
What is the SMILES notation for triphenyl(3-phenylpropyl)phosphanium?
The canonical SMILES for triphenyl(3-phenylpropyl)phosphanium is c1ccc(CCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of triphenyl(3-phenylpropyl)phosphanium?
The InChIKey is YEWDWCMFWXAKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26P/c1-5-14-24(15-6-1)16-13-23-28(25-17-7-2-8-18-25,26-19-9-3-10-20-26)27-21-11-4-12-22-27/h1-12,14-15,17-22H,13,16,23H2/q+1.
What are the key properties of triphenyl(3-phenylpropyl)phosphanium?
triphenyl(3-phenylpropyl)phosphanium has a molecular weight of 381.48 g/mol, XLogP of 5.61, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triphenyl(3-phenylpropyl)phosphanium is sourced from PubChem (CID 500003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).