6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline

C33H21N5 — CID 162477438

IUPAC6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccnc6ccccc56)cnc4c3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C33H21N5/c1-2-10-30-26(7-1)27(13-16-36-30)33-21-37-32-20-22(11-12-31(32)38-33)23-17-24(28-8-3-5-14-34-28)19-25(18-23)29-9-4-6-15-35-29/h1-21H
InChIKeyZRSVQRHHSSMMIA-UHFFFAOYSA-N
MW487.57 g/mol
LogP7.64
Rot. Bonds4

About 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline

6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline (PubChem CID 162477438) has the molecular formula C33H21N5 and a molecular weight of 487.57 g/mol. Its IUPAC name is 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline.

Molecular Properties

Compound Name6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline
PubChem CID162477438
Molecular FormulaC33H21N5
Molecular Weight487.57 g/mol
Exact Mass487.18
IUPAC Name6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline
SMILESc1ccc(-c2cc(-c3ccc4nc(-c5ccnc6ccccc56)cnc4c3)cc(-c3ccccn3)c2)nc1
InChIInChI=1S/C33H21N5/c1-2-10-30-26(7-1)27(13-16-36-30)33-21-37-32-20-22(11-12-31(32)38-33)23-17-24(28-8-3-5-14-34-28)19-25(18-23)29-9-4-6-15-35-29/h1-21H
InChIKeyZRSVQRHHSSMMIA-UHFFFAOYSA-N
XLogP7.64
TPSA64.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 57.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3,5-di(quinolin-4-yl)phenyl]-2-[2-(3-pyridin-2-ylphenyl)quinolin-7-yl]quinoline;2-phenyl-9-[3-[2-[2-(3-phenylphenyl)quinolin-7-yl]quinolin-7-yl]phenyl]-1,10-phenanthroline
CID 165060350
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-naphthalen-1-ylphenyl)-1,3,5-triazine;1-[4-[4-(3,5-dipyridin-2-ylphenyl)-6-(4-isoquinolin-1-ylphenyl)-1,3,5-triazin-2-yl]phenyl]isoquinoline;4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 163759383
2-[3-pyridin-2-yl-5-(3-triphenylen-2-ylphenyl)phenyl]pyridine
CID 153435461
4-naphthalen-2-ylquinoline
CID 14173372
4-[4-[4-(3,5-dipyridin-4-ylphenyl)-6-(4-quinolin-4-ylphenyl)-2-pyridinyl]phenyl]quinoline
CID 118603197
2-[6-[7-(2-quinolin-4-ylquinolin-7-yl)quinolin-2-yl]naphthalen-2-yl]-1,10-phenanthroline
CID 164780760
4-(3,5-dipyridin-2-ylphenyl)-2,6-bis(4-pyridin-2-ylphenyl)pyridine
CID 118582537
3-(3,5-dipyridin-2-ylphenyl)-7,14-dimethyl-6,13-diphenylquinolino[4,3-j]phenanthridine
CID 134591983
2-(3,5-dipyridin-2-ylphenyl)-4,6-bis(4-pyridin-2-ylphenyl)-1,3,5-triazine
CID 118582359
2-naphthalen-2-yl-7-(2-quinolin-5-ylquinolin-7-yl)quinoline
CID 164780916
2-[3,5-bis(4-pyridin-2-ylphenyl)phenyl]-4-phenylquinazoline
CID 118552145
4-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinoline
CID 130263336

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline?
The IUPAC name of 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline (CID 162477438) is 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline.
What is the SMILES notation for 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline?
The canonical SMILES for 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline is c1ccc(-c2cc(-c3ccc4nc(-c5ccnc6ccccc56)cnc4c3)cc(-c3ccccn3)c2)nc1.
What is the InChIKey of 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline?
The InChIKey is ZRSVQRHHSSMMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N5/c1-2-10-30-26(7-1)27(13-16-36-30)33-21-37-32-20-22(11-12-31(32)38-33)23-17-24(28-8-3-5-14-34-28)19-25(18-23)29-9-4-6-15-35-29/h1-21H.
What are the key properties of 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline?
6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline has a molecular weight of 487.57 g/mol, XLogP of 7.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dipyridin-2-ylphenyl)-2-quinolin-4-ylquinoxaline is sourced from PubChem (CID 162477438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).