diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane

C24H26BO2P — CID 89375914

IUPACdiphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane
SMILESCC1(C)OB(c2ccccc2P(c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C24H26BO2P/c1-23(2)24(3,4)27-25(26-23)21-17-11-12-18-22(21)28(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,1-4H3
InChIKeyCTDWMZJUAZDTDZ-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.74
Rot. Bonds4

About diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane

diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane (PubChem CID 89375914) has the molecular formula C24H26BO2P and a molecular weight of 388.26 g/mol. Its IUPAC name is diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Namediphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane
PubChem CID89375914
Molecular FormulaC24H26BO2P
Molecular Weight388.26 g/mol
Exact Mass388.18
IUPAC Namediphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane
SMILESCC1(C)OB(c2ccccc2P(c2ccccc2)c2ccccc2)OC1(C)C
InChIInChI=1S/C24H26BO2P/c1-23(2)24(3,4)27-25(26-23)21-17-11-12-18-22(21)28(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,1-4H3
InChIKeyCTDWMZJUAZDTDZ-UHFFFAOYSA-N
XLogP3.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

4,4,5,5-tetramethyl-2-(3-methylthiophen-2-yl)-1,3,2-dioxaborolane;triphenylphosphane
CID 91400469
CID 131579330
CID 131579330
(2-diphenylphosphanylphenyl)-diphenylphosphane;titanium
CID 174974517
[2-(9-borabicyclo[3.3.1]nonan-9-yl)phenyl]-diphenylphosphane
CID 122389863
4,4,5,5-tetramethyl-2-[3-(10-phenylboranthren-5-yl)phenyl]-1,3,2-dioxaborolane
CID 156664622
1-[2,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl-dimethylsilane
CID 135057487
[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanamine
CID 53217104
bromozinc(1+);2-(2-methanidylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 146002621
4,4,5,5-tetramethyl-2-[4-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 122382855
(1R)-1-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanamine
CID 99774998
4,4,5,5-tetramethyl-2-(2-prop-1-ynylphenyl)-1,3,2-dioxaborolane
CID 155819607
4,4,5,5-tetramethyl-2-[2-methyl-3-[2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-1,3,2-dioxaborolane
CID 140933550

Frequently Asked Questions

What is the IUPAC name of diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane?
The IUPAC name of diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane (CID 89375914) is diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane.
What is the SMILES notation for diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane?
The canonical SMILES for diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane is CC1(C)OB(c2ccccc2P(c2ccccc2)c2ccccc2)OC1(C)C.
What is the InChIKey of diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane?
The InChIKey is CTDWMZJUAZDTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BO2P/c1-23(2)24(3,4)27-25(26-23)21-17-11-12-18-22(21)28(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-18H,1-4H3.
What are the key properties of diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane?
diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane has a molecular weight of 388.26 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phosphane is sourced from PubChem (CID 89375914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).