4,5,6-tritert-butyltriphosphinine

C15H27P3 — CID 86056990

IUPAC4,5,6-tritert-butyltriphosphinine
SMILESCC(C)(C)c1pppc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H27P3/c1-13(2,3)10-11(14(4,5)6)16-18-17-12(10)15(7,8)9/h1-9H3
InChIKeyKIBSFBWHARQZFU-UHFFFAOYSA-N
MW300.30 g/mol
LogP7.32
Rot. Bonds

About 4,5,6-tritert-butyltriphosphinine

4,5,6-tritert-butyltriphosphinine (PubChem CID 86056990) has the molecular formula C15H27P3 and a molecular weight of 300.30 g/mol. Its IUPAC name is 4,5,6-tritert-butyltriphosphinine.

Molecular Properties

Compound Name4,5,6-tritert-butyltriphosphinine
PubChem CID86056990
Molecular FormulaC15H27P3
Molecular Weight300.30 g/mol
Exact Mass300.13
IUPAC Name4,5,6-tritert-butyltriphosphinine
SMILESCC(C)(C)c1pppc(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C15H27P3/c1-13(2,3)10-11(14(4,5)6)16-18-17-12(10)15(7,8)9/h1-9H3
InChIKeyKIBSFBWHARQZFU-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.30
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trimethyl-(2,5,6-tritert-butyl-1,3-diphosphinin-4-yl)silane
CID 6421181
4,5,6-tritert-butyl-2-methylpyrimidine
CID 21040087
3,4,5-tritert-butyl-1,2-oxazole
CID 21040090
1-tert-butyl-2-(2-tert-butyl-3,4,5,6-tetramethylphenyl)-3,4,5,6-tetramethylbenzene
CID 158215736
3,4-ditert-butyl-5,6-dimethylpyridazine
CID 59102413
4-tert-butyl-1H-pyrazole-3,5-diamine
CID 68753336
3,5-ditert-butyl-2,4,6-trimethylphenol
CID 19934176
1,2,3,5-tetratert-butylbenzene
CID 18679123
3,4-ditert-butyl-5,6-dimethyl-1H-pyridin-2-one
CID 171744974
2-tert-butyl-3,5-dimethylbenzenethiol
CID 69414331
3-tert-butyl-2,5-dimethylbenzene-1,4-diol
CID 58864787
5,6-ditert-butylpyrimidin-4-amine
CID 59120613

Frequently Asked Questions

What is the IUPAC name of 4,5,6-tritert-butyltriphosphinine?
The IUPAC name of 4,5,6-tritert-butyltriphosphinine (CID 86056990) is 4,5,6-tritert-butyltriphosphinine.
What is the SMILES notation for 4,5,6-tritert-butyltriphosphinine?
The canonical SMILES for 4,5,6-tritert-butyltriphosphinine is CC(C)(C)c1pppc(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of 4,5,6-tritert-butyltriphosphinine?
The InChIKey is KIBSFBWHARQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27P3/c1-13(2,3)10-11(14(4,5)6)16-18-17-12(10)15(7,8)9/h1-9H3.
What are the key properties of 4,5,6-tritert-butyltriphosphinine?
4,5,6-tritert-butyltriphosphinine has a molecular weight of 300.30 g/mol, XLogP of 7.32, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-tritert-butyltriphosphinine is sourced from PubChem (CID 86056990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).