tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane

C26H34N2P2 — CID 159836265

IUPACtert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane
SMILESCC(C)(C)P(Cc1cccc(CP(c2ccccn2)C(C)(C)C)c1)c1ccccn1
InChIInChI=1S/C26H34N2P2/c1-25(2,3)29(23-14-7-9-16-27-23)19-21-12-11-13-22(18-21)20-30(26(4,5)6)24-15-8-10-17-28-24/h7-18H,19-20H2,1-6H3
InChIKeyNOCPQWNANNMEND-UHFFFAOYSA-N
MW436.52 g/mol
LogP6.69
Rot. Bonds6

About tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane

tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane (PubChem CID 159836265) has the molecular formula C26H34N2P2 and a molecular weight of 436.52 g/mol. Its IUPAC name is tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane.

Molecular Properties

Compound Nametert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane
PubChem CID159836265
Molecular FormulaC26H34N2P2
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Nametert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane
SMILESCC(C)(C)P(Cc1cccc(CP(c2ccccn2)C(C)(C)C)c1)c1ccccn1
InChIInChI=1S/C26H34N2P2/c1-25(2,3)29(23-14-7-9-16-27-23)19-21-12-11-13-22(18-21)20-30(26(4,5)6)24-15-8-10-17-28-24/h7-18H,19-20H2,1-6H3
InChIKeyNOCPQWNANNMEND-UHFFFAOYSA-N
XLogP6.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 56.69
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-[2-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]-pyridin-2-ylphosphane
CID 126492794
tert-butyl-cyclopenta-2,4-dien-1-yl-pyridin-2-ylphosphane
CID 126497398
bis(2,6-dipyridin-2-ylpyridine);bis(platinum(2+));[3-(sulfanylmethyl)phenyl]methanethiol
CID 10373822
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-ethyl-pyrimidin-2-ylphosphane
CID 151408012
bis((R)-tert-butyl-[2-[tert-butyl(pyrimidin-2-yl)phosphanyl]ethyl]-pyrimidin-2-ylphosphane);gold(1+);chloride
CID 173010247
cesium;acetylene;(R)-tert-butyl-cyclopentyl-pyridin-2-ylphosphane;tris((S)-tert-butyl-cyclopentyl-pyridin-2-ylphosphane);carbanide;hydride;bis(iron(2+))
CID 162267871
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
chlorogold;bis(2-dipyridin-2-ylphosphanylethyl(dipyridin-2-yl)phosphane)
CID 15166408
2-[(3-ethylphenyl)methoxy]pyridine
CID 71028787

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane?
The IUPAC name of tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane (CID 159836265) is tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane.
What is the SMILES notation for tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane?
The canonical SMILES for tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane is CC(C)(C)P(Cc1cccc(CP(c2ccccn2)C(C)(C)C)c1)c1ccccn1.
What is the InChIKey of tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane?
The InChIKey is NOCPQWNANNMEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2P2/c1-25(2,3)29(23-14-7-9-16-27-23)19-21-12-11-13-22(18-21)20-30(26(4,5)6)24-15-8-10-17-28-24/h7-18H,19-20H2,1-6H3.
What are the key properties of tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane?
tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane has a molecular weight of 436.52 g/mol, XLogP of 6.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[3-[[tert-butyl(pyridin-2-yl)phosphanyl]methyl]phenyl]methyl]-pyridin-2-ylphosphane is sourced from PubChem (CID 159836265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).