(4-tert-butylphenyl)phosphane;diphenylphosphane

C22H26P2 — CID 174418043

IUPAC(4-tert-butylphenyl)phosphane;diphenylphosphane
SMILESCC(C)(C)c1ccc(P)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C10H15P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)8-4-6-9(11)7-5-8/h1-10,13H;4-7H,11H2,1-3H3
InChIKeyKMYXZHUZCHLEEN-UHFFFAOYSA-N
MW352.40 g/mol
LogP4.80
Rot. Bonds2

About (4-tert-butylphenyl)phosphane;diphenylphosphane

(4-tert-butylphenyl)phosphane;diphenylphosphane (PubChem CID 174418043) has the molecular formula C22H26P2 and a molecular weight of 352.40 g/mol. Its IUPAC name is (4-tert-butylphenyl)phosphane;diphenylphosphane.

Molecular Properties

Compound Name(4-tert-butylphenyl)phosphane;diphenylphosphane
PubChem CID174418043
Molecular FormulaC22H26P2
Molecular Weight352.40 g/mol
Exact Mass352.15
IUPAC Name(4-tert-butylphenyl)phosphane;diphenylphosphane
SMILESCC(C)(C)c1ccc(P)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/C12H11P.C10H15P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)8-4-6-9(11)7-5-8/h1-10,13H;4-7H,11H2,1-3H3
InChIKeyKMYXZHUZCHLEEN-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 171375456
1-(4-tert-butylphenyl)-3-(4-phosphanylphenyl)propane-1,3-dione
CID 59129999
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CID 160959011
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Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)phosphane;diphenylphosphane?
The IUPAC name of (4-tert-butylphenyl)phosphane;diphenylphosphane (CID 174418043) is (4-tert-butylphenyl)phosphane;diphenylphosphane.
What is the SMILES notation for (4-tert-butylphenyl)phosphane;diphenylphosphane?
The canonical SMILES for (4-tert-butylphenyl)phosphane;diphenylphosphane is CC(C)(C)c1ccc(P)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)phosphane;diphenylphosphane?
The InChIKey is KMYXZHUZCHLEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11P.C10H15P/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)8-4-6-9(11)7-5-8/h1-10,13H;4-7H,11H2,1-3H3.
What are the key properties of (4-tert-butylphenyl)phosphane;diphenylphosphane?
(4-tert-butylphenyl)phosphane;diphenylphosphane has a molecular weight of 352.40 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)phosphane;diphenylphosphane is sourced from PubChem (CID 174418043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).