3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine

C35H24N2O — CID 175610202

IUPAC3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
SMILESCc1cccc(-c2cccc3c2oc2c(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cccc23)c1
InChIInChI=1S/C35H24N2O/c1-23-7-2-8-24(17-23)30-11-3-13-32-33-14-4-12-31(35(33)38-34(30)32)29-19-27(25-9-5-15-36-21-25)18-28(20-29)26-10-6-16-37-22-26/h2-22H,1H3
InChIKeyWHZJMXJMDFJBSE-UHFFFAOYSA-N
MW488.59 g/mol
LogP9.35
Rot. Bonds4

About 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine

3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine (PubChem CID 175610202) has the molecular formula C35H24N2O and a molecular weight of 488.59 g/mol. Its IUPAC name is 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine.

Molecular Properties

Compound Name3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
PubChem CID175610202
Molecular FormulaC35H24N2O
Molecular Weight488.59 g/mol
Exact Mass488.19
IUPAC Name3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine
SMILESCc1cccc(-c2cccc3c2oc2c(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cccc23)c1
InChIInChI=1S/C35H24N2O/c1-23-7-2-8-24(17-23)30-11-3-13-32-33-14-4-12-31(35(33)38-34(30)32)29-19-27(25-9-5-15-36-21-25)18-28(20-29)26-10-6-16-37-22-26/h2-22H,1H3
InChIKeyWHZJMXJMDFJBSE-UHFFFAOYSA-N
XLogP9.35
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 59.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(3-methylphenyl)-[1]benzofuro[3,2-c]pyridine
CID 90139219
3-[4-[4-[6-[4-(4-pyridin-3-ylphenyl)phenyl]dibenzofuran-4-yl]phenyl]phenyl]pyridine
CID 171761270
4-[6-[3-(3,5-dipyridin-3-ylphenyl)-5-pyridin-3-ylphenyl]dibenzofuran-4-yl]benzonitrile
CID 175610644
3-[3-(3,5-dipyridin-3-ylphenyl)-5-[6-(4-isocyanophenyl)dibenzofuran-4-yl]phenyl]pyridine
CID 171761299
2-phenyl-5-[3-(6-phenyldibenzofuran-4-yl)-5-pyridin-3-ylphenyl]pyridine
CID 171760904
19-[3-(3-methylphenyl)phenyl]-21-oxapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15(20),16,18-decaene
CID 142293899
2-[2-[6-(3,5-dipyridin-3-ylphenyl)dibenzofuran-4-yl]phenyl]benzonitrile
CID 175610988
3-[3-(3,5-dipyridin-4-ylphenyl)-5-[6-[3-(4-isocyanophenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760980
3-[4-[6-[4-(4-tert-butylphenyl)phenyl]dibenzofuran-4-yl]phenyl]pyridine
CID 171760818
methylidenephosphane;3-(3-methylphenyl)pyridine
CID 144875841
5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline
CID 144553782
2-(3-dibenzofuran-4-yl-5-pyridin-3-ylphenyl)-1,10-phenanthroline
CID 155235089

Frequently Asked Questions

What is the IUPAC name of 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine?
The IUPAC name of 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine (CID 175610202) is 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine.
What is the SMILES notation for 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine?
The canonical SMILES for 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine is Cc1cccc(-c2cccc3c2oc2c(-c4cc(-c5cccnc5)cc(-c5cccnc5)c4)cccc23)c1.
What is the InChIKey of 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine?
The InChIKey is WHZJMXJMDFJBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2O/c1-23-7-2-8-24(17-23)30-11-3-13-32-33-14-4-12-31(35(33)38-34(30)32)29-19-27(25-9-5-15-36-21-25)18-28(20-29)26-10-6-16-37-22-26/h2-22H,1H3.
What are the key properties of 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine?
3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine has a molecular weight of 488.59 g/mol, XLogP of 9.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[6-(3-methylphenyl)dibenzofuran-4-yl]-5-pyridin-3-ylphenyl]pyridine is sourced from PubChem (CID 175610202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).