2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine

C31H33P — CID 5013068

IUPAC2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine
SMILESCC(C)(C)c1cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc(C(C)(C)C)p1
InChIInChI=1S/C31H33P/c1-30(2,3)27-20-24(21-28(32-27)31(4,5)6)29-25(22-14-9-7-10-15-22)18-13-19-26(29)23-16-11-8-12-17-23/h7-21H,1-6H3
InChIKeySDXPBIVHPYDJQH-UHFFFAOYSA-N
MW436.58 g/mol
LogP9.86
Rot. Bonds3

About 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine

2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine (PubChem CID 5013068) has the molecular formula C31H33P and a molecular weight of 436.58 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine.

Molecular Properties

Compound Name2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine
PubChem CID5013068
Molecular FormulaC31H33P
Molecular Weight436.58 g/mol
Exact Mass436.23
IUPAC Name2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine
SMILESCC(C)(C)c1cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc(C(C)(C)C)p1
InChIInChI=1S/C31H33P/c1-30(2,3)27-20-24(21-28(32-27)31(4,5)6)29-25(22-14-9-7-10-15-22)18-13-19-26(29)23-16-11-8-12-17-23/h7-21H,1-6H3
InChIKeySDXPBIVHPYDJQH-UHFFFAOYSA-N
XLogP9.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,6-ditert-butyl-4-phenylphosphinine
CID 624992
1-tert-butyl-2-[4-(4-phenylphenyl)phenyl]benzene
CID 141150554
1-tert-butyl-2-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene
CID 141427914
1,2,3-trimethoxy-5-[2-phenyl-6-(3,4,5-trimethoxyphenyl)phenyl]benzene
CID 174734654
2-[3-(3-tert-butylphenyl)phenyl]-1,3,5-triphenylbenzene
CID 140865935
1-(3-tert-butylphenyl)-3,5-bis(2-phenylphenyl)benzene
CID 140865937
1,2-ditert-butyl-3-(4-phenylphenyl)benzene
CID 19802295
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
1,2-bis(3-tert-butylphenyl)benzene
CID 164767999
1,2,4,5-tetrakis(2,6-ditert-butylphenyl)-3-phenylbenzene
CID 141273457
9-tert-butyl-1-phenylphenanthrene
CID 166007758
1-tert-butyl-2-methyl-3-phenylbenzene
CID 58759488

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine?
The IUPAC name of 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine (CID 5013068) is 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine.
What is the SMILES notation for 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine?
The canonical SMILES for 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine is CC(C)(C)c1cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)cc(C(C)(C)C)p1.
What is the InChIKey of 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine?
The InChIKey is SDXPBIVHPYDJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33P/c1-30(2,3)27-20-24(21-28(32-27)31(4,5)6)29-25(22-14-9-7-10-15-22)18-13-19-26(29)23-16-11-8-12-17-23/h7-21H,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine?
2,6-ditert-butyl-4-(2,6-diphenylphenyl)phosphinine has a molecular weight of 436.58 g/mol, XLogP of 9.86, 3 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-(2,6-diphenylphenyl)phosphinine is sourced from PubChem (CID 5013068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).