tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane

C27H30Cl3PSe — CID 132991778

IUPACtris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane
SMILESCC(CP(=[Se])(CC(C)c1ccc(Cl)cc1)CC(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H30Cl3PSe/c1-19(22-4-10-25(28)11-5-22)16-31(32,17-20(2)23-6-12-26(29)13-7-23)18-21(3)24-8-14-27(30)15-9-24/h4-15,19-21H,16-18H2,1-3H3
InChIKeyOUUMEQBNMIDEQZ-UHFFFAOYSA-N
MW570.83 g/mol
LogP9.46
Rot. Bonds9

About tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane

tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane (PubChem CID 132991778) has the molecular formula C27H30Cl3PSe and a molecular weight of 570.83 g/mol. Its IUPAC name is tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane.

Molecular Properties

Compound Nametris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane
PubChem CID132991778
Molecular FormulaC27H30Cl3PSe
Molecular Weight570.83 g/mol
Exact Mass570.03
IUPAC Nametris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane
SMILESCC(CP(=[Se])(CC(C)c1ccc(Cl)cc1)CC(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C27H30Cl3PSe/c1-19(22-4-10-25(28)11-5-22)16-31(32,17-20(2)23-6-12-26(29)13-7-23)18-21(3)24-8-14-27(30)15-9-24/h4-15,19-21H,16-18H2,1-3H3
InChIKeyOUUMEQBNMIDEQZ-UHFFFAOYSA-N
XLogP9.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.83
LogP ≤ 59.46
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

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3-(4-chlorophenyl)butanethial
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4-(4-chlorophenyl)-N-methylpentan-2-amine
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4-(4-chlorophenyl)pentanoyl chloride
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1-(1-azidopropan-2-yl)-4-chlorobenzene
CID 90211793
1-(4-chlorophenyl)ethaneselenol
CID 139265582
1-(4-chlorophenyl)ethylazanium
CID 18541873
1-chloro-4-(1-nitrosoethyl)benzene
CID 54345655
methyl (3R)-3-(4-chlorophenyl)butanoate
CID 11148562
1-(4-chlorophenyl)-N-[(1S)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81352929

Frequently Asked Questions

What is the IUPAC name of tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane?
The IUPAC name of tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane (CID 132991778) is tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane.
What is the SMILES notation for tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane?
The canonical SMILES for tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane is CC(CP(=[Se])(CC(C)c1ccc(Cl)cc1)CC(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane?
The InChIKey is OUUMEQBNMIDEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl3PSe/c1-19(22-4-10-25(28)11-5-22)16-31(32,17-20(2)23-6-12-26(29)13-7-23)18-21(3)24-8-14-27(30)15-9-24/h4-15,19-21H,16-18H2,1-3H3.
What are the key properties of tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane?
tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane has a molecular weight of 570.83 g/mol, XLogP of 9.46, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris[2-(4-chlorophenyl)propyl]-selanylidene-λ5-phosphane is sourced from PubChem (CID 132991778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).