tris(4-tert-butylphenyl)-methylidene-λ5-phosphane

C31H41P — CID 89204030

IUPACtris(4-tert-butylphenyl)-methylidene-λ5-phosphane
SMILESC=P(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C31H41P/c1-29(2,3)23-11-17-26(18-12-23)32(10,27-19-13-24(14-20-27)30(4,5)6)28-21-15-25(16-22-28)31(7,8)9/h11-22H,10H2,1-9H3
InChIKeyUJMQREKXVNABMH-UHFFFAOYSA-N
MW444.64 g/mol
LogP7.30
Rot. Bonds3

About tris(4-tert-butylphenyl)-methylidene-λ5-phosphane

tris(4-tert-butylphenyl)-methylidene-λ5-phosphane (PubChem CID 89204030) has the molecular formula C31H41P and a molecular weight of 444.64 g/mol. Its IUPAC name is tris(4-tert-butylphenyl)-methylidene-λ5-phosphane.

Molecular Properties

Compound Nametris(4-tert-butylphenyl)-methylidene-λ5-phosphane
PubChem CID89204030
Molecular FormulaC31H41P
Molecular Weight444.64 g/mol
Exact Mass444.29
IUPAC Nametris(4-tert-butylphenyl)-methylidene-λ5-phosphane
SMILESC=P(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C31H41P/c1-29(2,3)23-11-17-26(18-12-23)32(10,27-19-13-24(14-20-27)30(4,5)6)28-21-15-25(16-22-28)31(7,8)9/h11-22H,10H2,1-9H3
InChIKeyUJMQREKXVNABMH-UHFFFAOYSA-N
XLogP7.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.64
LogP ≤ 57.30
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 tris(4-tert-butylphenyl)-methylidene-λ5-phosphane?
The IUPAC name of tris(4-tert-butylphenyl)-methylidene-λ5-phosphane (CID 89204030) is tris(4-tert-butylphenyl)-methylidene-λ5-phosphane.
What is the SMILES notation for tris(4-tert-butylphenyl)-methylidene-λ5-phosphane?
The canonical SMILES for tris(4-tert-butylphenyl)-methylidene-λ5-phosphane is C=P(c1ccc(C(C)(C)C)cc1)(c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of tris(4-tert-butylphenyl)-methylidene-λ5-phosphane?
The InChIKey is UJMQREKXVNABMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H41P/c1-29(2,3)23-11-17-26(18-12-23)32(10,27-19-13-24(14-20-27)30(4,5)6)28-21-15-25(16-22-28)31(7,8)9/h11-22H,10H2,1-9H3.
What are the key properties of tris(4-tert-butylphenyl)-methylidene-λ5-phosphane?
tris(4-tert-butylphenyl)-methylidene-λ5-phosphane has a molecular weight of 444.64 g/mol, XLogP of 7.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(4-tert-butylphenyl)-methylidene-λ5-phosphane is sourced from PubChem (CID 89204030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).