tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane

C25H32N2P2 — CID 126492794

IUPACtert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane
SMILESCC(C)(C)P(Cc1ccccc1P(c1ccccn1)C(C)(C)C)c1ccccn1
InChIInChI=1S/C25H32N2P2/c1-24(2,3)28(22-15-9-11-17-26-22)19-20-13-7-8-14-21(20)29(25(4,5)6)23-16-10-12-18-27-23/h7-18H,19H2,1-6H3
InChIKeyYYDJFFSNSAJYAO-UHFFFAOYSA-N
MW422.49 g/mol
LogP5.81
Rot. Bonds5

About tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane

tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane (PubChem CID 126492794) has the molecular formula C25H32N2P2 and a molecular weight of 422.49 g/mol. Its IUPAC name is tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane.

Molecular Properties

Compound Nametert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane
PubChem CID126492794
Molecular FormulaC25H32N2P2
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nametert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane
SMILESCC(C)(C)P(Cc1ccccc1P(c1ccccn1)C(C)(C)C)c1ccccn1
InChIInChI=1S/C25H32N2P2/c1-24(2,3)28(22-15-9-11-17-26-22)19-20-13-7-8-14-21(20)29(25(4,5)6)23-16-10-12-18-27-23/h7-18H,19H2,1-6H3
InChIKeyYYDJFFSNSAJYAO-UHFFFAOYSA-N
XLogP5.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.49
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[(2-ethylphenyl)methyl]-pyridin-2-ylphosphane
CID 164765935
tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane
CID 159836265
ditert-butyl-[2-(dipyridin-2-ylphosphanylmethyl)-5-trimethylsilylphenyl]phosphane
CID 87343468
(1Z,3Z)-5-[tert-butyl-[[1-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]naphthalen-1-yl]naphthalen-2-yl]methyl]phosphanyl]hexa-1,3-dien-1-amine
CID 167100695
tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane
CID 126497398
chlorogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
CID 15166408
tert-butyl-ethyl-pyrimidin-2-ylphosphane
CID 151408012
bis(2-chlorophenyl)-pyridin-2-ylphosphane
CID 21284230
bis((R)-tert-butyl-[2-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane);gold(1+);chloride
CID 173010247
bromogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
CID 88596830
tert-butyl-phenyl-pyridin-3-ylphosphane
CID 25185996
propane;2-pyridin-2-ylpyridine
CID 158168510

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane?
The IUPAC name of tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane (CID 126492794) is tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane.
What is the SMILES notation for tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane?
The canonical SMILES for tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane is CC(C)(C)P(Cc1ccccc1P(c1ccccn1)C(C)(C)C)c1ccccn1.
What is the InChIKey of tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane?
The InChIKey is YYDJFFSNSAJYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2P2/c1-24(2,3)28(22-15-9-11-17-26-22)19-20-13-7-8-14-21(20)29(25(4,5)6)23-16-10-12-18-27-23/h7-18H,19H2,1-6H3.
What are the key properties of tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane?
tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane has a molecular weight of 422.49 g/mol, XLogP of 5.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane is sourced from PubChem (CID 126492794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).