2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline

C44H28N6 — CID 164780817

IUPAC2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline
SMILESc1ccc(-c2cc(-c3cccnc3-c3ccc4ccc(-c5ccc6ccc(-c7ccccn7)nc6c5)cc4n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N6/c1-3-10-29(11-4-1)41-28-42(50-44(49-41)32-12-5-2-6-13-32)35-14-9-25-46-43(35)38-23-21-31-17-19-34(27-40(31)48-38)33-18-16-30-20-22-37(47-39(30)26-33)36-15-7-8-24-45-36/h1-28H
InChIKeyFLQBZYYZLGCQCF-UHFFFAOYSA-N
MW640.75 g/mol
LogP10.36
Rot. Bonds6

About 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline

2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline (PubChem CID 164780817) has the molecular formula C44H28N6 and a molecular weight of 640.75 g/mol. Its IUPAC name is 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline.

Molecular Properties

Compound Name2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline
PubChem CID164780817
Molecular FormulaC44H28N6
Molecular Weight640.75 g/mol
Exact Mass640.24
IUPAC Name2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline
SMILESc1ccc(-c2cc(-c3cccnc3-c3ccc4ccc(-c5ccc6ccc(-c7ccccn7)nc6c5)cc4n3)nc(-c3ccccc3)n2)cc1
InChIInChI=1S/C44H28N6/c1-3-10-29(11-4-1)41-28-42(50-44(49-41)32-12-5-2-6-13-32)35-14-9-25-46-43(35)38-23-21-31-17-19-34(27-40(31)48-38)33-18-16-30-20-22-37(47-39(30)26-33)36-15-7-8-24-45-36/h1-28H
InChIKeyFLQBZYYZLGCQCF-UHFFFAOYSA-N
XLogP10.36
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.75
LogP ≤ 510.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline 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-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine;2-[4-[2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-6-pyridin-2-yl-4-pyridinyl]phenyl]-4,6-diphenylpyrimidine
CID 165050181
2,4-diphenyl-6-[2-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]pyrimidine
CID 164816956
2,4-diphenyl-6-pyridin-2-ylpyrimidine
CID 126746872
2-[6-[6-[5-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;2-[6-[6-[6-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-3-pyridinyl]-4,6-diphenylpyrimidine;4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine
CID 165077406
7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline;9-[3-[2-phenyl-6-[4-[2-(2-pyridin-2-ylquinolin-7-yl)quinolin-7-yl]phenyl]pyrimidin-4-yl]phenyl]carbazole
CID 165109992
2-[6-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-2-pyridinyl]-4,6-diphenyl-1,3,5-triazine
CID 164816777
2-(3,5-dipyridin-3-ylphenyl)-7-(2-pyridin-2-ylquinolin-7-yl)quinoline
CID 164780643
2,4-diphenyl-6-[2-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]pyrimidine
CID 164817201
2-phenyl-4,6-bis[3-phenyl-5-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 134166118
4-[2-[6-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine;4-[2-[6-[4-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-4-phenyl-2-pyridinyl]-4-pyridinyl]-2,6-diphenylpyrimidine
CID 165030163
2-[6-[6-[2-(2,6-diphenylpyrimidin-4-yl)quinolin-7-yl]quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline;2-[4-[6-(2-pyrimidin-4-ylquinolin-7-yl)quinolin-2-yl]phenyl]-1,10-phenanthroline
CID 165043020
4,6-diphenyl-2-[3-[4-[6-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]phenyl]phenyl]pyrimidine;4,6-diphenyl-2-[4-[4-[2-(4-phenyl-6-pyridin-2-yl-2-pyridinyl)-4-pyridinyl]phenyl]phenyl]pyrimidine
CID 165064030

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline?
The IUPAC name of 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline (CID 164780817) is 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline.
What is the SMILES notation for 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline?
The canonical SMILES for 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline is c1ccc(-c2cc(-c3cccnc3-c3ccc4ccc(-c5ccc6ccc(-c7ccccn7)nc6c5)cc4n3)nc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline?
The InChIKey is FLQBZYYZLGCQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N6/c1-3-10-29(11-4-1)41-28-42(50-44(49-41)32-12-5-2-6-13-32)35-14-9-25-46-43(35)38-23-21-31-17-19-34(27-40(31)48-38)33-18-16-30-20-22-37(47-39(30)26-33)36-15-7-8-24-45-36/h1-28H.
What are the key properties of 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline?
2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline has a molecular weight of 640.75 g/mol, XLogP of 10.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,6-diphenylpyrimidin-4-yl)-2-pyridinyl]-7-(2-pyridin-2-ylquinolin-7-yl)quinoline is sourced from PubChem (CID 164780817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).