diphenyl-[phenyl(pyridin-2-yl)methoxy]borane

C24H20BNO — CID 70916161

IUPACdiphenyl-[phenyl(pyridin-2-yl)methoxy]borane
SMILESc1ccc(B(OC(c2ccccc2)c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C24H20BNO/c1-4-12-20(13-5-1)24(23-18-10-11-19-26-23)27-25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,24H
InChIKeyFDWJVFSUUWDVAF-UHFFFAOYSA-N
MW349.24 g/mol
LogP3.99
Rot. Bonds6

About diphenyl-[phenyl(pyridin-2-yl)methoxy]borane

diphenyl-[phenyl(pyridin-2-yl)methoxy]borane (PubChem CID 70916161) has the molecular formula C24H20BNO and a molecular weight of 349.24 g/mol. Its IUPAC name is diphenyl-[phenyl(pyridin-2-yl)methoxy]borane.

Molecular Properties

Compound Namediphenyl-[phenyl(pyridin-2-yl)methoxy]borane
PubChem CID70916161
Molecular FormulaC24H20BNO
Molecular Weight349.24 g/mol
Exact Mass349.16
IUPAC Namediphenyl-[phenyl(pyridin-2-yl)methoxy]borane
SMILESc1ccc(B(OC(c2ccccc2)c2ccccn2)c2ccccc2)cc1
InChIInChI=1S/C24H20BNO/c1-4-12-20(13-5-1)24(23-18-10-11-19-26-23)27-25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,24H
InChIKeyFDWJVFSUUWDVAF-UHFFFAOYSA-N
XLogP3.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane
CID 143467476
methyl-[4-[4-[(3-methylphenyl)-[(4-methylphenyl)-pyridin-2-ylmethoxy]boranyl]phenoxy]phenyl]-[(4-methylphenyl)-pyridin-2-ylmethoxy]borane
CID 58414179
2-[phenyl(pyridin-2-yl)methyl]pyridine
CID 4110137
ethane;2-(1-phenylethyl)pyridine
CID 143899083
bis(4-fluorophenyl)boranyloxy-pyridin-2-ylmethanol
CID 69208439
[(1S,2S)-1-phenyl-2-phosphanyl-2-pyridin-2-ylethyl]phosphane
CID 101016472
[(R)-phenyl(pyridin-2-yl)methyl] cyclobutanecarboxylate
CID 95916441
2-[phenyl-[phenyl(pyrimidin-2-yl)methoxy]methyl]pyrimidine
CID 139831389
cumene;ethane;2-propan-2-ylpyridine
CID 160627938
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
2-[ethoxy(pyridin-2-yl)methyl]-6-[6-[2-methylpropoxy(phenyl)methyl]-2-pyridinyl]pyridine
CID 134407130
[(R)-phenyl(pyridin-2-yl)methyl] 3-cyanobenzoate
CID 51729581

Frequently Asked Questions

What is the IUPAC name of diphenyl-[phenyl(pyridin-2-yl)methoxy]borane?
The IUPAC name of diphenyl-[phenyl(pyridin-2-yl)methoxy]borane (CID 70916161) is diphenyl-[phenyl(pyridin-2-yl)methoxy]borane.
What is the SMILES notation for diphenyl-[phenyl(pyridin-2-yl)methoxy]borane?
The canonical SMILES for diphenyl-[phenyl(pyridin-2-yl)methoxy]borane is c1ccc(B(OC(c2ccccc2)c2ccccn2)c2ccccc2)cc1.
What is the InChIKey of diphenyl-[phenyl(pyridin-2-yl)methoxy]borane?
The InChIKey is FDWJVFSUUWDVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BNO/c1-4-12-20(13-5-1)24(23-18-10-11-19-26-23)27-25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,24H.
What are the key properties of diphenyl-[phenyl(pyridin-2-yl)methoxy]borane?
diphenyl-[phenyl(pyridin-2-yl)methoxy]borane has a molecular weight of 349.24 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl-[phenyl(pyridin-2-yl)methoxy]borane is sourced from PubChem (CID 70916161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).