2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine

C40H27N5 — CID 168835931

IUPAC2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C40H27N5/c1-4-12-31(13-5-1)37-36(41-35-18-10-11-27-45(35)37)30-23-19-28(20-24-30)29-21-25-34(26-22-29)40-43-38(32-14-6-2-7-15-32)42-39(44-40)33-16-8-3-9-17-33/h1-27H
InChIKeyKOAMGGXWZCVNDE-UHFFFAOYSA-N
MW577.69 g/mol
LogP9.52
Rot. Bonds6

About 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine

2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine (PubChem CID 168835931) has the molecular formula C40H27N5 and a molecular weight of 577.69 g/mol. Its IUPAC name is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
PubChem CID168835931
Molecular FormulaC40H27N5
Molecular Weight577.69 g/mol
Exact Mass577.23
IUPAC Name2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)cc3)n2)cc1
InChIInChI=1S/C40H27N5/c1-4-12-31(13-5-1)37-36(41-35-18-10-11-27-45(35)37)30-23-19-28(20-24-30)29-21-25-34(26-22-29)40-43-38(32-14-6-2-7-15-32)42-39(44-40)33-16-8-3-9-17-33/h1-27H
InChIKeyKOAMGGXWZCVNDE-UHFFFAOYSA-N
XLogP9.52
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709
2-(4-iodophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 133055125
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
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
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)-N,N-bis[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]aniline
CID 148796411
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-[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-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine (CID 168835931) is 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(-c5nc6ccccn6c5-c5ccccc5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine?
The InChIKey is KOAMGGXWZCVNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H27N5/c1-4-12-31(13-5-1)37-36(41-35-18-10-11-27-45(35)37)30-23-19-28(20-24-30)29-21-25-34(26-22-29)40-43-38(32-14-6-2-7-15-32)42-39(44-40)33-16-8-3-9-17-33/h1-27H.
What are the key properties of 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine?
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine has a molecular weight of 577.69 g/mol, XLogP of 9.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 168835931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).