2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline

C52H34N4 — CID 118582490

IUPAC2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6ccccc6n5)cc(-c5ccc6ccccc6n5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C52H34N4/c1-3-13-35(14-4-1)39-19-11-21-41(29-39)50-34-51(56-52(55-50)42-22-12-20-40(30-42)36-15-5-2-6-16-36)45-32-43(48-27-25-37-17-7-9-23-46(37)53-48)31-44(33-45)49-28-26-38-18-8-10-24-47(38)54-49/h1-34H
InChIKeyWKPMOZHPDWMGOW-UHFFFAOYSA-N
MW714.87 g/mol
LogP13.24
Rot. Bonds7

About 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline

2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline (PubChem CID 118582490) has the molecular formula C52H34N4 and a molecular weight of 714.87 g/mol. Its IUPAC name is 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline.

Molecular Properties

Compound Name2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline
PubChem CID118582490
Molecular FormulaC52H34N4
Molecular Weight714.87 g/mol
Exact Mass714.28
IUPAC Name2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6ccccc6n5)cc(-c5ccc6ccccc6n5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1
InChIInChI=1S/C52H34N4/c1-3-13-35(14-4-1)39-19-11-21-41(29-39)50-34-51(56-52(55-50)42-22-12-20-40(30-42)36-15-5-2-6-16-36)45-32-43(48-27-25-37-17-7-9-23-46(37)53-48)31-44(33-45)49-28-26-38-18-8-10-24-47(38)54-49/h1-34H
InChIKeyWKPMOZHPDWMGOW-UHFFFAOYSA-N
XLogP13.24
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.87
LogP ≤ 513.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline?
The IUPAC name of 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline (CID 118582490) is 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline.
What is the SMILES notation for 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline?
The canonical SMILES for 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline is c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6ccccc6n5)cc(-c5ccc6ccccc6n5)c4)nc(-c4cccc(-c5ccccc5)c4)n3)c2)cc1.
What is the InChIKey of 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline?
The InChIKey is WKPMOZHPDWMGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N4/c1-3-13-35(14-4-1)39-19-11-21-41(29-39)50-34-51(56-52(55-50)42-22-12-20-40(30-42)36-15-5-2-6-16-36)45-32-43(48-27-25-37-17-7-9-23-46(37)53-48)31-44(33-45)49-28-26-38-18-8-10-24-47(38)54-49/h1-34H.
What are the key properties of 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline?
2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline has a molecular weight of 714.87 g/mol, XLogP of 13.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2,6-bis(3-phenylphenyl)pyrimidin-4-yl]-5-quinolin-2-ylphenyl]quinoline is sourced from PubChem (CID 118582490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).