bis(3,5-ditert-butylphenyl)phosphane

C28H43P — CID 4191558

IUPACbis(3,5-ditert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(Pc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H43P/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,29H,1-12H3
InChIKeyICFJFBGAFIUVKS-UHFFFAOYSA-N
MW410.63 g/mol
LogP7.51
Rot. Bonds2

About bis(3,5-ditert-butylphenyl)phosphane

bis(3,5-ditert-butylphenyl)phosphane (PubChem CID 4191558) has the molecular formula C28H43P and a molecular weight of 410.63 g/mol. Its IUPAC name is bis(3,5-ditert-butylphenyl)phosphane.

Molecular Properties

Compound Namebis(3,5-ditert-butylphenyl)phosphane
PubChem CID4191558
Molecular FormulaC28H43P
Molecular Weight410.63 g/mol
Exact Mass410.31
IUPAC Namebis(3,5-ditert-butylphenyl)phosphane
SMILESCC(C)(C)c1cc(Pc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1
InChIInChI=1S/C28H43P/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,29H,1-12H3
InChIKeyICFJFBGAFIUVKS-UHFFFAOYSA-N
XLogP7.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.63
LogP ≤ 57.51
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 bis(3,5-ditert-butylphenyl)phosphane?
The IUPAC name of bis(3,5-ditert-butylphenyl)phosphane (CID 4191558) is bis(3,5-ditert-butylphenyl)phosphane.
What is the SMILES notation for bis(3,5-ditert-butylphenyl)phosphane?
The canonical SMILES for bis(3,5-ditert-butylphenyl)phosphane is CC(C)(C)c1cc(Pc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1.
What is the InChIKey of bis(3,5-ditert-butylphenyl)phosphane?
The InChIKey is ICFJFBGAFIUVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43P/c1-25(2,3)19-13-20(26(4,5)6)16-23(15-19)29-24-17-21(27(7,8)9)14-22(18-24)28(10,11)12/h13-18,29H,1-12H3.
What are the key properties of bis(3,5-ditert-butylphenyl)phosphane?
bis(3,5-ditert-butylphenyl)phosphane has a molecular weight of 410.63 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-ditert-butylphenyl)phosphane is sourced from PubChem (CID 4191558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).