ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane

C19H27N2P — CID 50918018

IUPACditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane
SMILESCC(C)(C)P(/C=C1/C=CC=C(c2ccccn2)N1)C(C)(C)C
InChIInChI=1S/C19H27N2P/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16/h7-14,21H,1-6H3/b15-14-
InChIKeyKGZUIYJGGOJHRI-PFONDFGASA-N
MW314.41 g/mol
LogP5.50
Rot. Bonds2

About ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane

ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane (PubChem CID 50918018) has the molecular formula C19H27N2P and a molecular weight of 314.41 g/mol. Its IUPAC name is ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane
PubChem CID50918018
Molecular FormulaC19H27N2P
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Nameditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane
SMILESCC(C)(C)P(/C=C1/C=CC=C(c2ccccn2)N1)C(C)(C)C
InChIInChI=1S/C19H27N2P/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16/h7-14,21H,1-6H3/b15-14-
InChIKeyKGZUIYJGGOJHRI-PFONDFGASA-N
XLogP5.50
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.41
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
ditert-butyl-[(Z)-(6-pyridin-2-ylpyridin-1-id-2-ylidene)methyl]phosphanium;manganese(3+);methanone
CID 153284901
2-chloro-2-methylpropane;pyridin-2-ylphosphane
CID 175501933
(2,6-dipyridin-2-yl-1H-pyridin-2-yl)methyl-trimethylsilane
CID 11578367
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
carbanide;methanolate;platinum(4+);2-pyridin-2-ylpyridine;hydroxide
CID 25150763

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane?
The IUPAC name of ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane (CID 50918018) is ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane.
What is the SMILES notation for ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane?
The canonical SMILES for ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane is CC(C)(C)P(/C=C1/C=CC=C(c2ccccn2)N1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane?
The InChIKey is KGZUIYJGGOJHRI-PFONDFGASA-N. The full InChI is InChI=1S/C19H27N2P/c1-18(2,3)22(19(4,5)6)14-15-10-9-12-17(21-15)16-11-7-8-13-20-16/h7-14,21H,1-6H3/b15-14-.
What are the key properties of ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane?
ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane has a molecular weight of 314.41 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[(Z)-(6-pyridin-2-yl-1H-pyridin-2-ylidene)methyl]phosphane is sourced from PubChem (CID 50918018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).