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

C23H43NP2 — CID 11157260

IUPACditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane
SMILESCC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C23H43NP2/c1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12/h13-15H,16-17H2,1-12H3
InChIKeyNJQAVBPPWNSBBC-UHFFFAOYSA-N
MW395.55 g/mol
LogP8.24
Rot. Bonds4

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

ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane (PubChem CID 11157260) has the molecular formula C23H43NP2 and a molecular weight of 395.55 g/mol. Its IUPAC name is ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane
PubChem CID11157260
Molecular FormulaC23H43NP2
Molecular Weight395.55 g/mol
Exact Mass395.29
IUPAC Nameditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane
SMILESCC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C
InChIInChI=1S/C23H43NP2/c1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12/h13-15H,16-17H2,1-12H3
InChIKeyNJQAVBPPWNSBBC-UHFFFAOYSA-N
XLogP8.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 58.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane (CID 11157260) is ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane is CC(C)(C)P(Cc1cccc(CP(C(C)(C)C)C(C)(C)C)n1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane?
The InChIKey is NJQAVBPPWNSBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43NP2/c1-20(2,3)25(21(4,5)6)16-18-14-13-15-19(24-18)17-26(22(7,8)9)23(10,11)12/h13-15H,16-17H2,1-12H3.
What are the key properties of ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane?
ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane has a molecular weight of 395.55 g/mol, XLogP of 8.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[6-(ditert-butylphosphanylmethyl)-2-pyridinyl]methyl]phosphane is sourced from PubChem (CID 11157260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).