2,6-ditert-butyl-4-phenylphosphinine

C19H25P — CID 624992

IUPAC2,6-ditert-butyl-4-phenylphosphinine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)p1
InChIInChI=1S/C19H25P/c1-18(2,3)16-12-15(14-10-8-7-9-11-14)13-17(20-16)19(4,5)6/h7-13H,1-6H3
InChIKeyNDTYKOIWZLUVMO-UHFFFAOYSA-N
MW284.38 g/mol
LogP6.53
Rot. Bonds1

About 2,6-ditert-butyl-4-phenylphosphinine

2,6-ditert-butyl-4-phenylphosphinine (PubChem CID 624992) has the molecular formula C19H25P and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-phenylphosphinine.

Molecular Properties

Compound Name2,6-ditert-butyl-4-phenylphosphinine
PubChem CID624992
Molecular FormulaC19H25P
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name2,6-ditert-butyl-4-phenylphosphinine
SMILESCC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)p1
InChIInChI=1S/C19H25P/c1-18(2,3)16-12-15(14-10-8-7-9-11-14)13-17(20-16)19(4,5)6/h7-13H,1-6H3
InChIKeyNDTYKOIWZLUVMO-UHFFFAOYSA-N
XLogP6.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.38
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine
CID 5013068
ethane;1,3,5-triphenylbenzene
CID 142123051
1,3,5-triphenylbenzene
CID 158331433
4,9,14,19,24-pentakis-phenylhexacyclo[20.3.1.12,6.17,11.112,16.117,21]triaconta-1(26),2(30),3,5,7(29),8,10,12(28),13,15,17,19,21(27),22,24-pentadecaene
CID 177480216
benzene;2,6-ditert-butyl-4-phenylphenol
CID 175516792
1,1'-biphenyl;tetrakis(1,3-ditert-butyl-5-methylbenzene)
CID 175093014
1,3,5-triphenylbenzene;trihydrochloride
CID 172862781
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747
2,5-bis(3,5-diphenylphenyl)thiophene
CID 175285531
3-tert-butyl-5-phenyl-1,2,4-thiazaphosphole
CID 5325069
1-(3-phenylphenyl)-3,5-bis[3-(3-phenylphenyl)phenyl]benzene
CID 177124488

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-phenylphosphinine?
The IUPAC name of 2,6-ditert-butyl-4-phenylphosphinine (CID 624992) is 2,6-ditert-butyl-4-phenylphosphinine.
What is the SMILES notation for 2,6-ditert-butyl-4-phenylphosphinine?
The canonical SMILES for 2,6-ditert-butyl-4-phenylphosphinine is CC(C)(C)c1cc(-c2ccccc2)cc(C(C)(C)C)p1.
What is the InChIKey of 2,6-ditert-butyl-4-phenylphosphinine?
The InChIKey is NDTYKOIWZLUVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25P/c1-18(2,3)16-12-15(14-10-8-7-9-11-14)13-17(20-16)19(4,5)6/h7-13H,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-phenylphosphinine?
2,6-ditert-butyl-4-phenylphosphinine has a molecular weight of 284.38 g/mol, XLogP of 6.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-phenylphosphinine is sourced from PubChem (CID 624992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).