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

C52H35N5 — CID 164781284

IUPAC3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6nc7ccccn7c6-c6ccccc6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C52H35N5/c1-5-16-36(17-6-1)38-27-29-41(30-28-38)51-54-50(40-22-11-4-12-23-40)55-52(56-51)46-34-44(37-18-7-2-8-19-37)33-45(35-46)42-24-15-25-43(32-42)48-49(39-20-9-3-10-21-39)57-31-14-13-26-47(57)53-48/h1-35H
InChIKeyQSBNXFBDNMDNJM-UHFFFAOYSA-N
MW729.89 g/mol
LogP12.86
Rot. Bonds8

About 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

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 (PubChem CID 164781284) has the molecular formula C52H35N5 and a molecular weight of 729.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
PubChem CID164781284
Molecular FormulaC52H35N5
Molecular Weight729.89 g/mol
Exact Mass729.29
IUPAC Name3-phenyl-2-[3-[3-phenyl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6nc7ccccn7c6-c6ccccc6)c5)c4)n3)cc2)cc1
InChIInChI=1S/C52H35N5/c1-5-16-36(17-6-1)38-27-29-41(30-28-38)51-54-50(40-22-11-4-12-23-40)55-52(56-51)46-34-44(37-18-7-2-8-19-37)33-45(35-46)42-24-15-25-43(32-42)48-49(39-20-9-3-10-21-39)57-31-14-13-26-47(57)53-48/h1-35H
InChIKeyQSBNXFBDNMDNJM-UHFFFAOYSA-N
XLogP12.86
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.89
LogP ≤ 512.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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-phenyl-3-[3-[3-phenyl-5-[4-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]phenyl]quinoxaline
CID 164781299
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
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-[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-1-yl-3-[3-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 164781194
3-phenyl-2-[4-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835954
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
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
N-phenyl-N-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]aniline
CID 167376610
4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline
CID 164781233

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5cccc(-c6nc7ccccn7c6-c6ccccc6)c5)c4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is QSBNXFBDNMDNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N5/c1-5-16-36(17-6-1)38-27-29-41(30-28-38)51-54-50(40-22-11-4-12-23-40)55-52(56-51)46-34-44(37-18-7-2-8-19-37)33-45(35-46)42-24-15-25-43(32-42)48-49(39-20-9-3-10-21-39)57-31-14-13-26-47(57)53-48/h1-35H.
What are the key properties of 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?
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 has a molecular weight of 729.89 g/mol, XLogP of 12.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164781284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).