[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane

C20H27P — CID 134970841

IUPAC[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2P)cc1
InChIInChI=1S/C20H27P/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6/h7-13H,21H2,1-6H3
InChIKeyWQDCTPQDFLRQTA-UHFFFAOYSA-N
MW298.41 g/mol
LogP5.45
Rot. Bonds1

About [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane

[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane (PubChem CID 134970841) has the molecular formula C20H27P and a molecular weight of 298.41 g/mol. Its IUPAC name is [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane.

Molecular Properties

Compound Name[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane
PubChem CID134970841
Molecular FormulaC20H27P
Molecular Weight298.41 g/mol
Exact Mass298.19
IUPAC Name[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane
SMILESCC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2P)cc1
InChIInChI=1S/C20H27P/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6/h7-13H,21H2,1-6H3
InChIKeyWQDCTPQDFLRQTA-UHFFFAOYSA-N
XLogP5.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.41
LogP ≤ 55.45
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 [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane?
The IUPAC name of [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane (CID 134970841) is [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane.
What is the SMILES notation for [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane?
The canonical SMILES for [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane is CC(C)(C)c1ccc(-c2ccc(C(C)(C)C)cc2P)cc1.
What is the InChIKey of [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane?
The InChIKey is WQDCTPQDFLRQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27P/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6/h7-13H,21H2,1-6H3.
What are the key properties of [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane?
[5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane has a molecular weight of 298.41 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5-tert-butyl-2-(4-tert-butylphenyl)phenyl]phosphane is sourced from PubChem (CID 134970841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).