2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine

C48H32N6 — CID 155306963

IUPAC2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)n2)cc1
InChIInChI=1S/C48H32N6/c1-4-16-33(17-5-1)44-46(53-28-12-10-26-42(53)51-44)38-24-14-22-36(30-38)40-32-41(50-48(49-40)35-20-8-3-9-21-35)37-23-15-25-39(31-37)47-45(34-18-6-2-7-19-34)52-43-27-11-13-29-54(43)47/h1-32H
InChIKeyXFAUZSZJHJHDKU-UHFFFAOYSA-N
MW692.83 g/mol
LogP11.44
Rot. Bonds7

About 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine

2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 155306963) has the molecular formula C48H32N6 and a molecular weight of 692.83 g/mol. Its IUPAC name is 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID155306963
Molecular FormulaC48H32N6
Molecular Weight692.83 g/mol
Exact Mass692.27
IUPAC Name2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)n2)cc1
InChIInChI=1S/C48H32N6/c1-4-16-33(17-5-1)44-46(53-28-12-10-26-42(53)51-44)38-24-14-22-36(30-38)40-32-41(50-48(49-40)35-20-8-3-9-21-35)37-23-15-25-39(31-37)47-45(34-18-6-2-7-19-34)52-43-27-11-13-29-54(43)47/h1-32H
InChIKeyXFAUZSZJHJHDKU-UHFFFAOYSA-N
XLogP11.44
TPSA60.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500692.83
LogP ≤ 511.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
bis(3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-naphthalen-2-ylimidazo[1,2-a]pyridine);3-[4-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 159888199
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
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
3-phenyl-2-[4-phenyl-6-[2-phenyl-6-[4-phenyl-6-(3-phenylimidazo[1,2-a]pyridin-2-yl)-2-pyridinyl]pyrimidin-4-yl]-2-pyridinyl]imidazo[1,2-a]pyridine
CID 164780995
2-[3-[6-[3-[1,2-bis(ethenyl)-5-naphthalen-2-ylimidazol-4-yl]phenyl]-2-phenylpyrimidin-4-yl]phenyl]-3-naphthalen-2-ylimidazo[1,2-a]pyridine
CID 164781085
2-(4-fluorophenyl)-3-[3-(4-fluorophenyl)phenyl]imidazo[1,2-a]pyridine
CID 71699551
3-phenyl-2-[3-[6-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
CID 177296995
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299
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-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-1-ylphenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 164781104
3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 164780984

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine (CID 155306963) is 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2nc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)n2)cc1.
What is the InChIKey of 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is XFAUZSZJHJHDKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H32N6/c1-4-16-33(17-5-1)44-46(53-28-12-10-26-42(53)51-44)38-24-14-22-36(30-38)40-32-41(50-48(49-40)35-20-8-3-9-21-35)37-23-15-25-39(31-37)47-45(34-18-6-2-7-19-34)52-43-27-11-13-29-54(43)47/h1-32H.
What are the key properties of 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine?
2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 692.83 g/mol, XLogP of 11.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-[2-phenyl-6-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 155306963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).