ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane

C27H33P — CID 139468098

IUPACditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane
SMILESCc1cc(-c2ccccc2)c(P(C(C)(C)C)C(C)(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C27H33P/c1-20-18-23(21-14-10-8-11-15-21)25(28(26(2,3)4)27(5,6)7)24(19-20)22-16-12-9-13-17-22/h8-19H,1-7H3
InChIKeyWIVDZIFYGXUTAS-UHFFFAOYSA-N
MW388.54 g/mol
LogP8.03
Rot. Bonds3

About ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane

ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane (PubChem CID 139468098) has the molecular formula C27H33P and a molecular weight of 388.54 g/mol. Its IUPAC name is ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane.

Molecular Properties

Compound Nameditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane
PubChem CID139468098
Molecular FormulaC27H33P
Molecular Weight388.54 g/mol
Exact Mass388.23
IUPAC Nameditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane
SMILESCc1cc(-c2ccccc2)c(P(C(C)(C)C)C(C)(C)C)c(-c2ccccc2)c1
InChIInChI=1S/C27H33P/c1-20-18-23(21-14-10-8-11-15-21)25(28(26(2,3)4)27(5,6)7)24(19-20)22-16-12-9-13-17-22/h8-19H,1-7H3
InChIKeyWIVDZIFYGXUTAS-UHFFFAOYSA-N
XLogP8.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.54
LogP ≤ 58.03
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-(4-methyl-2,6-diphenylphenyl)phosphane?
The IUPAC name of ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane (CID 139468098) is ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane.
What is the SMILES notation for ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane?
The canonical SMILES for ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane is Cc1cc(-c2ccccc2)c(P(C(C)(C)C)C(C)(C)C)c(-c2ccccc2)c1.
What is the InChIKey of ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane?
The InChIKey is WIVDZIFYGXUTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33P/c1-20-18-23(21-14-10-8-11-15-21)25(28(26(2,3)4)27(5,6)7)24(19-20)22-16-12-9-13-17-22/h8-19H,1-7H3.
What are the key properties of ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane?
ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane has a molecular weight of 388.54 g/mol, XLogP of 8.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-(4-methyl-2,6-diphenylphenyl)phosphane is sourced from PubChem (CID 139468098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).