ditert-butyl-(2-phenylphenyl)phosphane

C20H27P — CID 2734215

IUPACditert-butyl-(2-phenylphenyl)phosphane
SMILESCC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
InChIKeyCNXMDTWQWLGCPE-UHFFFAOYSA-N
MW298.41 g/mol
LogP6.06
Rot. Bonds2

About ditert-butyl-(2-phenylphenyl)phosphane

ditert-butyl-(2-phenylphenyl)phosphane (PubChem CID 2734215) has the molecular formula C20H27P and a molecular weight of 298.41 g/mol. Its IUPAC name is ditert-butyl-(2-phenylphenyl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(2-phenylphenyl)phosphane
PubChem CID2734215
Molecular FormulaC20H27P
Molecular Weight298.41 g/mol
Exact Mass298.19
IUPAC Nameditert-butyl-(2-phenylphenyl)phosphane
SMILESCC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C
InChIInChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3
InChIKeyCNXMDTWQWLGCPE-UHFFFAOYSA-N
XLogP6.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.41
LogP ≤ 56.06
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 ditert-butyl-(2-phenylphenyl)phosphane?
The IUPAC name of ditert-butyl-(2-phenylphenyl)phosphane (CID 2734215) is ditert-butyl-(2-phenylphenyl)phosphane.
What is the SMILES notation for ditert-butyl-(2-phenylphenyl)phosphane?
The canonical SMILES for ditert-butyl-(2-phenylphenyl)phosphane is CC(C)(C)P(c1ccccc1-c1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-(2-phenylphenyl)phosphane?
The InChIKey is CNXMDTWQWLGCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27P/c1-19(2,3)21(20(4,5)6)18-15-11-10-14-17(18)16-12-8-7-9-13-16/h7-15H,1-6H3.
What are the key properties of ditert-butyl-(2-phenylphenyl)phosphane?
ditert-butyl-(2-phenylphenyl)phosphane has a molecular weight of 298.41 g/mol, XLogP of 6.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(2-phenylphenyl)phosphane is sourced from PubChem (CID 2734215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).