(4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane

C46H41B2NO5 — CID 143467476

IUPAC(4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane
SMILESCOc1ccc(COB(c2ccccc2)c2ccc(OCc3ccc(B(OC(c4ccc(OC)cc4)c4ccccn4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C46H41B2NO5/c1-50-42-26-18-36(19-27-42)34-53-47(38-11-5-3-6-12-38)40-24-30-44(31-25-40)52-33-35-16-22-41(23-17-35)48(39-13-7-4-8-14-39)54-46(45-15-9-10-32-49-45)37-20-28-43(51-2)29-21-37/h3-32,46H,33-34H2,1-2H3
InChIKeyCQCJUSBHJFTJGX-UHFFFAOYSA-N
MW709.46 g/mol
LogP6.91
Rot. Bonds16

About (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane

(4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane (PubChem CID 143467476) has the molecular formula C46H41B2NO5 and a molecular weight of 709.46 g/mol. Its IUPAC name is (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane.

Molecular Properties

Compound Name(4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane
PubChem CID143467476
Molecular FormulaC46H41B2NO5
Molecular Weight709.46 g/mol
Exact Mass709.32
IUPAC Name(4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane
SMILESCOc1ccc(COB(c2ccccc2)c2ccc(OCc3ccc(B(OC(c4ccc(OC)cc4)c4ccccn4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C46H41B2NO5/c1-50-42-26-18-36(19-27-42)34-53-47(38-11-5-3-6-12-38)40-24-30-44(31-25-40)52-33-35-16-22-41(23-17-35)48(39-13-7-4-8-14-39)54-46(45-15-9-10-32-49-45)37-20-28-43(51-2)29-21-37/h3-32,46H,33-34H2,1-2H3
InChIKeyCQCJUSBHJFTJGX-UHFFFAOYSA-N
XLogP6.91
TPSA59.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500709.46
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane with MolForge

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Related Compounds

diphenyl-[phenyl(pyridin-2-yl)methoxy]borane
CID 70916161
methyl-[4-[4-[(3-methylphenyl)-[(4-methylphenyl)-pyridin-2-ylmethoxy]boranyl]phenoxy]phenyl]-[(4-methylphenyl)-pyridin-2-ylmethoxy]borane
CID 58414179
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3-benzhydryloxy-2-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-oxopropanoic acid
CID 12763322
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
CID 123980360
CID 123980360
cumene;1-methoxy-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;2-propan-2-ylpyridine
CID 159792908
N-[(4-methoxyphenyl)methyl]-N-methyl-1-pyridin-2-ylethane-1,2-diamine
CID 61419935
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
3-(4-methoxyphenoxy)-2-pyridin-2-ylpropan-1-amine
CID 112516627
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane?
The IUPAC name of (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane (CID 143467476) is (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane.
What is the SMILES notation for (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane?
The canonical SMILES for (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane is COc1ccc(COB(c2ccccc2)c2ccc(OCc3ccc(B(OC(c4ccc(OC)cc4)c4ccccn4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane?
The InChIKey is CQCJUSBHJFTJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H41B2NO5/c1-50-42-26-18-36(19-27-42)34-53-47(38-11-5-3-6-12-38)40-24-30-44(31-25-40)52-33-35-16-22-41(23-17-35)48(39-13-7-4-8-14-39)54-46(45-15-9-10-32-49-45)37-20-28-43(51-2)29-21-37/h3-32,46H,33-34H2,1-2H3.
What are the key properties of (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane?
(4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane has a molecular weight of 709.46 g/mol, XLogP of 6.91, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methoxy-[4-[[4-[[(4-methoxyphenyl)-pyridin-2-ylmethoxy]-phenylboranyl]phenyl]methoxy]phenyl]-phenylborane is sourced from PubChem (CID 143467476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).