tris(2-phenylpropyl)-selanylidene-λ5-phosphane

C27H33PSe — CID 132991777

IUPACtris(2-phenylpropyl)-selanylidene-λ5-phosphane
SMILESCC(CP(=[Se])(CC(C)c1ccccc1)CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33PSe/c1-22(25-13-7-4-8-14-25)19-28(29,20-23(2)26-15-9-5-10-16-26)21-24(3)27-17-11-6-12-18-27/h4-18,22-24H,19-21H2,1-3H3
InChIKeyJONIJSUHYAVRKY-UHFFFAOYSA-N
MW467.50 g/mol
LogP7.50
Rot. Bonds9

About tris(2-phenylpropyl)-selanylidene-λ5-phosphane

tris(2-phenylpropyl)-selanylidene-λ5-phosphane (PubChem CID 132991777) has the molecular formula C27H33PSe and a molecular weight of 467.50 g/mol. Its IUPAC name is tris(2-phenylpropyl)-selanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(2-phenylpropyl)-selanylidene-λ5-phosphane
PubChem CID132991777
Molecular FormulaC27H33PSe
Molecular Weight467.50 g/mol
Exact Mass468.15
IUPAC Nametris(2-phenylpropyl)-selanylidene-λ5-phosphane
SMILESCC(CP(=[Se])(CC(C)c1ccccc1)CC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33PSe/c1-22(25-13-7-4-8-14-25)19-28(29,20-23(2)26-15-9-5-10-16-26)21-24(3)27-17-11-6-12-18-27/h4-18,22-24H,19-21H2,1-3H3
InChIKeyJONIJSUHYAVRKY-UHFFFAOYSA-N
XLogP7.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.50
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane
CID 132991778
1-dichlorophosphorylpropan-2-ylbenzene
CID 139980768
copper(1+);[(2S)-pentan-2-yl]benzene
CID 154715894
pentan-2-ylbenzene
CID 17627
[(2R)-1-phenylpropan-2-yl]benzene
CID 11138041
1,4-bis(2-phenylpropyl)benzene
CID 19376086
(2R)-2-phenyl-N-[(2S)-2-phenylpropyl]propan-1-amine
CID 7054159
ethane;(2S)-2-phenylpropan-1-ol
CID 142206535
ethane;(2R)-2-phenylpropan-1-ol
CID 160644449
CID 136701673
CID 136701673
1,3-benzothiazol-2-ylsulfanyl-bis(2-phenylpropyl)-selanylidene-λ5-phosphane
CID 102429166
3-phenyl-N-(3-phenylbutyl)-N-propan-2-ylbutan-1-amine
CID 15365768

Frequently Asked Questions

What is the IUPAC name of tris(2-phenylpropyl)-selanylidene-λ5-phosphane?
The IUPAC name of tris(2-phenylpropyl)-selanylidene-λ5-phosphane (CID 132991777) is tris(2-phenylpropyl)-selanylidene-λ5-phosphane.
What is the SMILES notation for tris(2-phenylpropyl)-selanylidene-λ5-phosphane?
The canonical SMILES for tris(2-phenylpropyl)-selanylidene-λ5-phosphane is CC(CP(=[Se])(CC(C)c1ccccc1)CC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of tris(2-phenylpropyl)-selanylidene-λ5-phosphane?
The InChIKey is JONIJSUHYAVRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33PSe/c1-22(25-13-7-4-8-14-25)19-28(29,20-23(2)26-15-9-5-10-16-26)21-24(3)27-17-11-6-12-18-27/h4-18,22-24H,19-21H2,1-3H3.
What are the key properties of tris(2-phenylpropyl)-selanylidene-λ5-phosphane?
tris(2-phenylpropyl)-selanylidene-λ5-phosphane has a molecular weight of 467.50 g/mol, XLogP of 7.50, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-phenylpropyl)-selanylidene-λ5-phosphane is sourced from PubChem (CID 132991777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).