ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane

C27H43N2P — CID 154703036

IUPACditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(CP(C(C)(C)C)C(C)(C)C)n2)c1
InChIInChI=1S/C27H43N2P/c1-24(2,3)19-13-14-28-22(16-19)23-17-20(25(4,5)6)15-21(29-23)18-30(26(7,8)9)27(10,11)12/h13-17H,18H2,1-12H3
InChIKeyXJQHPPVSXIASQO-UHFFFAOYSA-N
MW426.63 g/mol
LogP8.32
Rot. Bonds3

About ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane

ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane (PubChem CID 154703036) has the molecular formula C27H43N2P and a molecular weight of 426.63 g/mol. Its IUPAC name is ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane
PubChem CID154703036
Molecular FormulaC27H43N2P
Molecular Weight426.63 g/mol
Exact Mass426.32
IUPAC Nameditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane
SMILESCC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(CP(C(C)(C)C)C(C)(C)C)n2)c1
InChIInChI=1S/C27H43N2P/c1-24(2,3)19-13-14-28-22(16-19)23-17-20(25(4,5)6)15-21(29-23)18-30(26(7,8)9)27(10,11)12/h13-17H,18H2,1-12H3
InChIKeyXJQHPPVSXIASQO-UHFFFAOYSA-N
XLogP8.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.63
LogP ≤ 58.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane with MolForge

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Related Compounds

2-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]acetaldehyde
CID 135247028
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;carbanide;platinum(2+)
CID 10962043
4-[2-[4-[2-[2,6-bis(4-tert-butyl-2-pyridinyl)-4-pyridinyl]ethyl]phenyl]ethyl]-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine
CID 101142232
4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)pyridine-2-carbaldehyde
CID 152511124
1-[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]ethanone
CID 135252421
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;chlororhenium;methanone
CID 164886835
4-tert-butyl-2,6-bis(4-tert-butyl-2-pyridinyl)pyridine;gold(1+);trifluoromethanesulfonate
CID 11858840
octakis(acetonitrile);hexakis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);molybdenum;(oxygen(2-))
CID 139082640
2-(4-tert-butyl-2-pyridinyl)-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 15827510
(4-tert-butyl-2-pyridinyl)methanol
CID 18799645
bis(4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine);bis(dioxido(dioxo)chromium);bis(oxygen(2-));bis(vanadium)
CID 53380188
2-(4-tert-butyl-2-pyridinyl)-6-chloropyridine
CID 156780767

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane (CID 154703036) is ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane is CC(C)(C)c1ccnc(-c2cc(C(C)(C)C)cc(CP(C(C)(C)C)C(C)(C)C)n2)c1.
What is the InChIKey of ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane?
The InChIKey is XJQHPPVSXIASQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H43N2P/c1-24(2,3)19-13-14-28-22(16-19)23-17-20(25(4,5)6)15-21(29-23)18-30(26(7,8)9)27(10,11)12/h13-17H,18H2,1-12H3.
What are the key properties of ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane?
ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane has a molecular weight of 426.63 g/mol, XLogP of 8.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[4-tert-butyl-6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]methyl]phosphane is sourced from PubChem (CID 154703036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).