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

C56H38N6 — CID 164781085

IUPAC2-[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
SMILESC=Cc1nc(-c2cccc(-c3cc(-c4cccc(-c5nc6ccccn6c5-c5ccc6ccccc6c5)c4)nc(-c4ccccc4)n3)c2)c(-c2ccc3ccccc3c2)n1C=C
InChIInChI=1S/C56H38N6/c1-3-50-59-52(54(61(50)4-2)46-29-27-37-16-8-10-20-40(37)32-46)44-24-14-22-42(34-44)48-36-49(58-56(57-48)39-18-6-5-7-19-39)43-23-15-25-45(35-43)53-55(62-31-13-12-26-51(62)60-53)47-30-28-38-17-9-11-21-41(38)33-47/h3-36H,1-2H2
InChIKeyMOXHPDOLTIDAIB-UHFFFAOYSA-N
MW794.96 g/mol
LogP14.04
Rot. Bonds9

About 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

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 (PubChem CID 164781085) has the molecular formula C56H38N6 and a molecular weight of 794.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID164781085
Molecular FormulaC56H38N6
Molecular Weight794.96 g/mol
Exact Mass794.32
IUPAC Name2-[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
SMILESC=Cc1nc(-c2cccc(-c3cc(-c4cccc(-c5nc6ccccn6c5-c5ccc6ccccc6c5)c4)nc(-c4ccccc4)n3)c2)c(-c2ccc3ccccc3c2)n1C=C
InChIInChI=1S/C56H38N6/c1-3-50-59-52(54(61(50)4-2)46-29-27-37-16-8-10-20-40(37)32-46)44-24-14-22-42(34-44)48-36-49(58-56(57-48)39-18-6-5-7-19-39)43-23-15-25-45(35-43)53-55(62-31-13-12-26-51(62)60-53)47-30-28-38-17-9-11-21-41(38)33-47/h3-36H,1-2H2
InChIKeyMOXHPDOLTIDAIB-UHFFFAOYSA-N
XLogP14.04
TPSA60.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500794.96
LogP ≤ 514.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-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
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
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-(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-phenyl-2-[3-[6-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
CID 177296995
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
3-[4-(3-naphthalen-2-yl-5-pyridin-2-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 155306751
3-[3-(3-naphthalen-2-yl-5-pyridin-3-ylphenyl)phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 155306901
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
5-phenyl-2-[4-phenyl-6-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-pyridinyl]phenol
CID 169318160

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1nc(-c2cccc(-c3cc(-c4cccc(-c5nc6ccccn6c5-c5ccc6ccccc6c5)c4)nc(-c4ccccc4)n3)c2)c(-c2ccc3ccccc3c2)n1C=C.
What is the InChIKey of 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?
The InChIKey is MOXHPDOLTIDAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N6/c1-3-50-59-52(54(61(50)4-2)46-29-27-37-16-8-10-20-40(37)32-46)44-24-14-22-42(34-44)48-36-49(58-56(57-48)39-18-6-5-7-19-39)43-23-15-25-45(35-43)53-55(62-31-13-12-26-51(62)60-53)47-30-28-38-17-9-11-21-41(38)33-47/h3-36H,1-2H2.
What are the key properties of 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?
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 has a molecular weight of 794.96 g/mol, XLogP of 14.04, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164781085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).