ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane

C23H42P2 — CID 54000190

IUPACditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane
SMILESCC(C)(C)P(Cc1ccccc1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H42P2/c1-20(2,3)24(21(4,5)6)17-18-15-13-14-16-19(18)25(22(7,8)9)23(10,11)12/h13-16H,17H2,1-12H3
InChIKeyKLABTTOCEFBDRG-UHFFFAOYSA-N
MW380.54 g/mol
LogP7.97
Rot. Bonds3

About ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane

ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane (PubChem CID 54000190) has the molecular formula C23H42P2 and a molecular weight of 380.54 g/mol. Its IUPAC name is ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane
PubChem CID54000190
Molecular FormulaC23H42P2
Molecular Weight380.54 g/mol
Exact Mass380.28
IUPAC Nameditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane
SMILESCC(C)(C)P(Cc1ccccc1P(C(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C23H42P2/c1-20(2,3)24(21(4,5)6)17-18-15-13-14-16-19(18)25(22(7,8)9)23(10,11)12/h13-16H,17H2,1-12H3
InChIKeyKLABTTOCEFBDRG-UHFFFAOYSA-N
XLogP7.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.54
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane?
The IUPAC name of ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane (CID 54000190) is ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane.
What is the SMILES notation for ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane?
The canonical SMILES for ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane is CC(C)(C)P(Cc1ccccc1P(C(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane?
The InChIKey is KLABTTOCEFBDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42P2/c1-20(2,3)24(21(4,5)6)17-18-15-13-14-16-19(18)25(22(7,8)9)23(10,11)12/h13-16H,17H2,1-12H3.
What are the key properties of ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane?
ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane has a molecular weight of 380.54 g/mol, XLogP of 7.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-(ditert-butylphosphanylmethyl)phenyl]phosphane is sourced from PubChem (CID 54000190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).