2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline

C51H34N4 — CID 164781299

IUPAC2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc(-c3cccc(-c4nc5ccccc5nc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C51H34N4/c1-4-15-35(16-5-1)42-32-43(36-26-28-38(29-27-36)50-51(39-19-8-3-9-20-39)55-30-13-12-25-47(55)54-50)34-44(33-42)40-21-14-22-41(31-40)49-48(37-17-6-2-7-18-37)52-45-23-10-11-24-46(45)53-49/h1-34H
InChIKeyJTYVKMYQURBAHQ-UHFFFAOYSA-N
MW702.86 g/mol
LogP12.95
Rot. Bonds7

About 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline

2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline (PubChem CID 164781299) has the molecular formula C51H34N4 and a molecular weight of 702.86 g/mol. Its IUPAC name is 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
PubChem CID164781299
Molecular FormulaC51H34N4
Molecular Weight702.86 g/mol
Exact Mass702.28
IUPAC Name2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc(-c3cccc(-c4nc5ccccc5nc4-c4ccccc4)c3)c2)cc1
InChIInChI=1S/C51H34N4/c1-4-15-35(16-5-1)42-32-43(36-26-28-38(29-27-36)50-51(39-19-8-3-9-20-39)55-30-13-12-25-47(55)54-50)34-44(33-42)40-21-14-22-41(31-40)49-48(37-17-6-2-7-18-37)52-45-23-10-11-24-46(45)53-49/h1-34H
InChIKeyJTYVKMYQURBAHQ-UHFFFAOYSA-N
XLogP12.95
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.86
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline;2-phenyl-3-[4-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline;2-phenyl-3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]quinoxaline
CID 164994147
3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781284
2-[3-[3-deuterio-5-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[3-[3-(2,6-diphenyl-4-pyridinyl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine;2-phenyl-3-[3-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 165059818
3-phenyl-2-[3-[4-[4-phenyl-6-(2-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835790
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
2-(4-fluorophenyl)-3-[3-(4-fluorophenyl)phenyl]imidazo[1,2-a]pyridine
CID 71699551
2-(4-phenylphenyl)-3-[3-[4-phenyl-6-[3-[2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]phenyl]-2-pyridinyl]phenyl]imidazo[1,2-a]pyridine
CID 164781069
3-[4-[3,5-bis[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 131846664
5-phenyl-2-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]phenol
CID 169318160
2-phenyl-1-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164781227
2-phenyl-3-(3-phenylphenyl)quinoxaline
CID 175058958
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline?
The IUPAC name of 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline (CID 164781299) is 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline.
What is the SMILES notation for 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline?
The canonical SMILES for 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline is c1ccc(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc(-c3cccc(-c4nc5ccccc5nc4-c4ccccc4)c3)c2)cc1.
What is the InChIKey of 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline?
The InChIKey is JTYVKMYQURBAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H34N4/c1-4-15-35(16-5-1)42-32-43(36-26-28-38(29-27-36)50-51(39-19-8-3-9-20-39)55-30-13-12-25-47(55)54-50)34-44(33-42)40-21-14-22-41(31-40)49-48(37-17-6-2-7-18-37)52-45-23-10-11-24-46(45)53-49/h1-34H.
What are the key properties of 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline?
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline has a molecular weight of 702.86 g/mol, XLogP of 12.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline is sourced from PubChem (CID 164781299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).