2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine

C27H20N2O — CID 140818851

IUPAC2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
SMILESc1ccc(-c2ccc(-c3c[nH]c(-c4cccc(Oc5ccccn5)c4)c3)cc2)cc1
InChIInChI=1S/C27H20N2O/c1-2-7-20(8-3-1)21-12-14-22(15-13-21)24-18-26(29-19-24)23-9-6-10-25(17-23)30-27-11-4-5-16-28-27/h1-19,29H
InChIKeyQGTUOZWMYIVOPX-UHFFFAOYSA-N
MW388.47 g/mol
LogP7.20
Rot. Bonds5

About 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine

2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine (PubChem CID 140818851) has the molecular formula C27H20N2O and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine.

Molecular Properties

Compound Name2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
PubChem CID140818851
Molecular FormulaC27H20N2O
Molecular Weight388.47 g/mol
Exact Mass388.16
IUPAC Name2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine
SMILESc1ccc(-c2ccc(-c3c[nH]c(-c4cccc(Oc5ccccn5)c4)c3)cc2)cc1
InChIInChI=1S/C27H20N2O/c1-2-7-20(8-3-1)21-12-14-22(15-13-21)24-18-26(29-19-24)23-9-6-10-25(17-23)30-27-11-4-5-16-28-27/h1-19,29H
InChIKeyQGTUOZWMYIVOPX-UHFFFAOYSA-N
XLogP7.20
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(3-pyridin-2-yloxyphenoxy)phenyl]pyridine
CID 67464516
2-pyridin-2-yloxy-6-(3-pyridin-2-yloxyphenyl)pyridine
CID 158819079
5-(4-phenylphenyl)-2-(3-pyridin-2-yloxyphenyl)-1,3-oxazole
CID 140818796
2-[4-phenyl-6-(3-pyridin-2-yloxyphenyl)-2-pyridinyl]phenol
CID 153304016
2-phenyl-6-(3-pyridin-2-ylphenoxy)pyridine
CID 58871043
3-[3-(3-pyridin-2-yloxyphenoxy)phenyl]isoquinoline
CID 159467919
ethane;2-phenoxypyridine
CID 90835857
2-(5-phenyl-1H-pyrrol-3-yl)pyridine
CID 76663027
2-(3-pyridin-2-yloxyphenyl)-3H-quinazolin-4-one
CID 168551800
2-[3-[3-[4-(4-phenylphenyl)pyrazol-1-yl]phenoxy]phenoxy]pyridine;platinum
CID 158881190
2-(2-chloro-4-phenylphenoxy)pyridine
CID 141486105
9-phenyl-3-[6-(3-pyridin-2-yloxyphenyl)-3-pyridinyl]carbazole
CID 140818788

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine?
The IUPAC name of 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine (CID 140818851) is 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine.
What is the SMILES notation for 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine?
The canonical SMILES for 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine is c1ccc(-c2ccc(-c3c[nH]c(-c4cccc(Oc5ccccn5)c4)c3)cc2)cc1.
What is the InChIKey of 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine?
The InChIKey is QGTUOZWMYIVOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N2O/c1-2-7-20(8-3-1)21-12-14-22(15-13-21)24-18-26(29-19-24)23-9-6-10-25(17-23)30-27-11-4-5-16-28-27/h1-19,29H.
What are the key properties of 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine?
2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine has a molecular weight of 388.47 g/mol, XLogP of 7.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-phenylphenyl)-1H-pyrrol-2-yl]phenoxy]pyridine is sourced from PubChem (CID 140818851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).