3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine

C42H31N3 — CID 164781014

IUPAC3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)cc(-c3ccc4ccccc4c3)c2)c(C)n1
InChIInChI=1S/C42H31N3/c1-28-18-21-39(29(2)43-28)38-26-36(25-37(27-38)34-20-19-30-11-6-7-14-32(30)23-34)33-15-10-16-35(24-33)42-41(31-12-4-3-5-13-31)44-40-17-8-9-22-45(40)42/h3-27H,1-2H3
InChIKeyJISLCFVGTNGOAB-UHFFFAOYSA-N
MW577.73 g/mol
LogP10.83
Rot. Bonds5

About 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine

3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine (PubChem CID 164781014) has the molecular formula C42H31N3 and a molecular weight of 577.73 g/mol. Its IUPAC name is 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
PubChem CID164781014
Molecular FormulaC42H31N3
Molecular Weight577.73 g/mol
Exact Mass577.25
IUPAC Name3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)cc(-c3ccc4ccccc4c3)c2)c(C)n1
InChIInChI=1S/C42H31N3/c1-28-18-21-39(29(2)43-28)38-26-36(25-37(27-38)34-20-19-30-11-6-7-14-32(30)23-34)33-15-10-16-35(24-33)42-41(31-12-4-3-5-13-31)44-40-17-8-9-22-45(40)42/h3-27H,1-2H3
InChIKeyJISLCFVGTNGOAB-UHFFFAOYSA-N
XLogP10.83
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.73
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(2,6-dimethyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-[3-(6-methyl-2-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[3-(3-naphthalen-1-yl-5-pyridin-2-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 165023094
3-[4-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[4-[3-(2,6-dimethyl-4-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine;3-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-pyridin-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 165095906
5-[3-(2,6-dimethyl-3-pyridinyl)-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 164781279
3-[3-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 155306901
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
2-naphthalen-2-yl-3-[4-(2-naphthalen-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]imidazo[1,2-a]pyridine
CID 59999905
2-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-[5-methylidene-2,7-bis(4-phenylphenyl)-4,6-dihydro-1,3-diazepin-4-yl]phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 155306728
3-[4-(3-naphthalen-2-yl-5-pyridin-2-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 155306751
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
2-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine (CID 164781014) is 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine is Cc1ccc(-c2cc(-c3cccc(-c4c(-c5ccccc5)nc5ccccn45)c3)cc(-c3ccc4ccccc4c3)c2)c(C)n1.
What is the InChIKey of 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is JISLCFVGTNGOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H31N3/c1-28-18-21-39(29(2)43-28)38-26-36(25-37(27-38)34-20-19-30-11-6-7-14-32(30)23-34)33-15-10-16-35(24-33)42-41(31-12-4-3-5-13-31)44-40-17-8-9-22-45(40)42/h3-27H,1-2H3.
What are the key properties of 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine?
3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 577.73 g/mol, XLogP of 10.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(2,6-dimethyl-3-pyridinyl)-5-naphthalen-2-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 164781014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).