2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine

C29H24N2O2 — CID 175543369

IUPAC2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
SMILESc1ccc(COc2ccc(-c3ccc(-n4cccc4)cc3)c(OCc3ccccc3)n2)cc1
InChIInChI=1S/C29H24N2O2/c1-3-9-23(10-4-1)21-32-28-18-17-27(29(30-28)33-22-24-11-5-2-6-12-24)25-13-15-26(16-14-25)31-19-7-8-20-31/h1-20H,21-22H2
InChIKeyMJFUEIWSPYDEET-UHFFFAOYSA-N
MW432.52 g/mol
LogP6.70
Rot. Bonds8

About 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine

2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine (PubChem CID 175543369) has the molecular formula C29H24N2O2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine.

Molecular Properties

Compound Name2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
PubChem CID175543369
Molecular FormulaC29H24N2O2
Molecular Weight432.52 g/mol
Exact Mass432.18
IUPAC Name2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine
SMILESc1ccc(COc2ccc(-c3ccc(-n4cccc4)cc3)c(OCc3ccccc3)n2)cc1
InChIInChI=1S/C29H24N2O2/c1-3-9-23(10-4-1)21-32-28-18-17-27(29(30-28)33-22-24-11-5-2-6-12-24)25-13-15-26(16-14-25)31-19-7-8-20-31/h1-20H,21-22H2
InChIKeyMJFUEIWSPYDEET-UHFFFAOYSA-N
XLogP6.70
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 163203487
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperazine
CID 171491745
3-(4-nitrophenyl)-2,6-bis(phenylmethoxy)pyridine
CID 170322517
2-[2,6-bis(phenylmethoxy)-3-pyridinyl]-6-[4-(2-oxo-1-pyridinyl)phenyl]benzonitrile
CID 178128904
3-(4-bromophenyl)-2,6-bis(phenylmethoxy)pyridine;formic acid
CID 175548926
1-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-4-butylpiperazine
CID 175796163
6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-6-azaspiro[3.4]octan-2-one
CID 172630666
[(2R)-4-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]morpholin-2-yl]methanol
CID 176885958
4-[2,6-bis(phenylmethoxy)-3-pyridinyl]-2-fluorobenzoic acid
CID 175422727
tert-butyl 6-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 170979767
[8-[4-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]-2-oxa-8-azaspiro[4.5]decan-3-yl]methanol
CID 172630476
1-[3-[2,6-bis(phenylmethoxy)-3-pyridinyl]phenyl]piperidin-4-one
CID 170007907

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine?
The IUPAC name of 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine (CID 175543369) is 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine.
What is the SMILES notation for 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine?
The canonical SMILES for 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine is c1ccc(COc2ccc(-c3ccc(-n4cccc4)cc3)c(OCc3ccccc3)n2)cc1.
What is the InChIKey of 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine?
The InChIKey is MJFUEIWSPYDEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N2O2/c1-3-9-23(10-4-1)21-32-28-18-17-27(29(30-28)33-22-24-11-5-2-6-12-24)25-13-15-26(16-14-25)31-19-7-8-20-31/h1-20H,21-22H2.
What are the key properties of 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine?
2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine has a molecular weight of 432.52 g/mol, XLogP of 6.70, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(phenylmethoxy)-3-(4-pyrrol-1-ylphenyl)pyridine is sourced from PubChem (CID 175543369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).