ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane

C20H28NP — CID 122232365

IUPACditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
SMILESCC(C)(C)P(Cc1cccc(-c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C20H28NP/c1-19(2,3)22(20(4,5)6)15-17-13-10-14-18(21-17)16-11-8-7-9-12-16/h7-14H,15H2,1-6H3
InChIKeyCIBFCFLXSFROSZ-UHFFFAOYSA-N
MW313.43 g/mol
LogP6.33
Rot. Bonds3

About ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane

ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane (PubChem CID 122232365) has the molecular formula C20H28NP and a molecular weight of 313.43 g/mol. Its IUPAC name is ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
PubChem CID122232365
Molecular FormulaC20H28NP
Molecular Weight313.43 g/mol
Exact Mass313.20
IUPAC Nameditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
SMILESCC(C)(C)P(Cc1cccc(-c2ccccc2)n1)C(C)(C)C
InChIInChI=1S/C20H28NP/c1-19(2,3)22(20(4,5)6)15-17-13-10-14-18(21-17)16-11-8-7-9-12-16/h7-14H,15H2,1-6H3
InChIKeyCIBFCFLXSFROSZ-UHFFFAOYSA-N
XLogP6.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.43
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-(fluoromethyl)-6-phenylpyridine
CID 58240037
(2-ethylphenyl)-phenyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 71085572
dicyclohexyl-[(6-phenyl-2-pyridinyl)methyl]phosphane
CID 59775224
carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hydride;1-hydroxyethanolate;ruthenium(2+)
CID 70679274
2-phenyl-6-(phenylsulfanylmethyl)pyridine
CID 102163268
acetonitrile;benzene;ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane;iridium;hexafluorophosphate
CID 139111073
[6-(4-tert-butylphenyl)-2-pyridinyl]methanol
CID 22566603
2-[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]-N-(2-diphenylphosphanylphenyl)ethanimine
CID 139489483
2-(butylsulfanylmethyl)-6-phenylpyridine
CID 59781949
carbon monoxide;ditert-butyl-[(6-pyridin-2-yl-2-pyridinyl)methyl]phosphane;hexanoate;hydride;ruthenium(2+)
CID 70679268
1-(6-phenyl-2-pyridinyl)-N-[(6-phenyl-2-pyridinyl)methyl]-N-(pyridin-2-ylmethyl)methanamine
CID 57459973
2,4-dimethyl-6-(6-phenyl-2-pyridinyl)-1,3,5-triazine
CID 14580779

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane?
The IUPAC name of ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane (CID 122232365) is ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane.
What is the SMILES notation for ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane?
The canonical SMILES for ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane is CC(C)(C)P(Cc1cccc(-c2ccccc2)n1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane?
The InChIKey is CIBFCFLXSFROSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28NP/c1-19(2,3)22(20(4,5)6)15-17-13-10-14-18(21-17)16-11-8-7-9-12-16/h7-14H,15H2,1-6H3.
What are the key properties of ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane?
ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane has a molecular weight of 313.43 g/mol, XLogP of 6.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(6-phenyl-2-pyridinyl)methyl]phosphane is sourced from PubChem (CID 122232365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).