ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane

C28H36P2 — CID 87241691

IUPACditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane
SMILESCC(C)(C)P(Cc1ccccc1C(P)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36P2/c1-26(2,3)30(27(4,5)6)21-22-15-13-14-20-25(22)28(29,23-16-9-7-10-17-23)24-18-11-8-12-19-24/h7-20H,21,29H2,1-6H3
InChIKeyXIWUZDGTOHYIQU-UHFFFAOYSA-N
MW434.54 g/mol
LogP8.43
Rot. Bonds5

About ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane

ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane (PubChem CID 87241691) has the molecular formula C28H36P2 and a molecular weight of 434.54 g/mol. Its IUPAC name is ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane
PubChem CID87241691
Molecular FormulaC28H36P2
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Nameditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane
SMILESCC(C)(C)P(Cc1ccccc1C(P)(c1ccccc1)c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H36P2/c1-26(2,3)30(27(4,5)6)21-22-15-13-14-20-25(22)28(29,23-16-9-7-10-17-23)24-18-11-8-12-19-24/h7-20H,21,29H2,1-6H3
InChIKeyXIWUZDGTOHYIQU-UHFFFAOYSA-N
XLogP8.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

[2-[bis(2-methylphenyl)-phosphanylmethyl]phenyl]methyl-ditert-butylphosphane
CID 87241716
ditert-butyl-[[2-(diphenylphosphanylmethyl)phenyl]methyl]phosphane
CID 87241692
[(2-nonylphenyl)-diphenylmethyl]phosphane;hydrobromide
CID 175428923
[(2-methylphenyl)-diphenylmethyl]phosphane
CID 90111831
ditert-butyl-[[8-(ditert-butylphosphanylmethyl)naphthalen-1-yl]methyl]phosphane
CID 102468817
[2-[2,3-bis(ditert-butylphosphanylmethyl)phenyl]-6-(ditert-butylphosphanylmethyl)phenyl]methyl-ditert-butylphosphane
CID 140544690
tritylphosphane;hydrate
CID 173373221
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)-phenyl-phosphanylmethyl]phenol
CID 23082358
ditert-butyl-[[2-[phosphanyl-di(quinolin-2-yl)methyl]-4,5-bis(trimethylsilyl)phenyl]methyl]phosphane
CID 140667771
ditert-butyl-[[2-(ditert-butylphosphanylmethyl)-3,6-diphenylphenyl]methyl]phosphane
CID 87464602
2-[(2-hydroxy-3-methylphenyl)-phenyl-phosphanylmethyl]-6-methylphenol
CID 23082352
ditert-butyl-[[2-(2,4,6,8-tetramethyl-1,3,5,7-trioxaphosphocan-7-yl)phenyl]methyl]phosphane;methane
CID 173176245

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane?
The IUPAC name of ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane (CID 87241691) is ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane.
What is the SMILES notation for ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane?
The canonical SMILES for ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane is CC(C)(C)P(Cc1ccccc1C(P)(c1ccccc1)c1ccccc1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane?
The InChIKey is XIWUZDGTOHYIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36P2/c1-26(2,3)30(27(4,5)6)21-22-15-13-14-20-25(22)28(29,23-16-9-7-10-17-23)24-18-11-8-12-19-24/h7-20H,21,29H2,1-6H3.
What are the key properties of ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane?
ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane has a molecular weight of 434.54 g/mol, XLogP of 8.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[[2-[diphenyl(phosphanyl)methyl]phenyl]methyl]phosphane is sourced from PubChem (CID 87241691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).