tris(2-tert-butylphenyl)phosphane

C30H39P — CID 11475937

IUPACtris(2-tert-butylphenyl)phosphane
SMILESCC(C)(C)c1ccccc1P(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C
InChIInChI=1S/C30H39P/c1-28(2,3)22-16-10-13-19-25(22)31(26-20-14-11-17-23(26)29(4,5)6)27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3
InChIKeyGDKAFTKCUOBEDW-UHFFFAOYSA-N
MW430.62 g/mol
LogP7.34
Rot. Bonds3

About tris(2-tert-butylphenyl)phosphane

tris(2-tert-butylphenyl)phosphane (PubChem CID 11475937) has the molecular formula C30H39P and a molecular weight of 430.62 g/mol. Its IUPAC name is tris(2-tert-butylphenyl)phosphane.

Molecular Properties

Compound Nametris(2-tert-butylphenyl)phosphane
PubChem CID11475937
Molecular FormulaC30H39P
Molecular Weight430.62 g/mol
Exact Mass430.28
IUPAC Nametris(2-tert-butylphenyl)phosphane
SMILESCC(C)(C)c1ccccc1P(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C
InChIInChI=1S/C30H39P/c1-28(2,3)22-16-10-13-19-25(22)31(26-20-14-11-17-23(26)29(4,5)6)27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3
InChIKeyGDKAFTKCUOBEDW-UHFFFAOYSA-N
XLogP7.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.62
LogP ≤ 57.34
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 175472927
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1-tert-butyl-2-[2-(2-tert-butylphenyl)propan-2-yl]benzene
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1-tert-butyl-2-(2-tert-butylphenyl)benzene;phosphane
CID 67329738
(2-tert-butylphenyl)-methylazanium
CID 143723704
tetrakis(2-tert-butylphenol);phosphorous acid
CID 175312297
1-tert-butyl-2-iodobenzene
CID 637957
CID 172777673
CID 172777673
(2-tert-butylphenyl)azanium
CID 23026339
2-tert-butylaniline
CID 159041627
tris[2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)phenyl]phosphane
CID 102270271

Frequently Asked Questions

What is the IUPAC name of tris(2-tert-butylphenyl)phosphane?
The IUPAC name of tris(2-tert-butylphenyl)phosphane (CID 11475937) is tris(2-tert-butylphenyl)phosphane.
What is the SMILES notation for tris(2-tert-butylphenyl)phosphane?
The canonical SMILES for tris(2-tert-butylphenyl)phosphane is CC(C)(C)c1ccccc1P(c1ccccc1C(C)(C)C)c1ccccc1C(C)(C)C.
What is the InChIKey of tris(2-tert-butylphenyl)phosphane?
The InChIKey is GDKAFTKCUOBEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39P/c1-28(2,3)22-16-10-13-19-25(22)31(26-20-14-11-17-23(26)29(4,5)6)27-21-15-12-18-24(27)30(7,8)9/h10-21H,1-9H3.
What are the key properties of tris(2-tert-butylphenyl)phosphane?
tris(2-tert-butylphenyl)phosphane has a molecular weight of 430.62 g/mol, XLogP of 7.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-tert-butylphenyl)phosphane is sourced from PubChem (CID 11475937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).