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

C38H25N5 — CID 168835940

IUPAC2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cn6ccccc6n5)c4)c4ccccc34)n2)cc1
InChIInChI=1S/C38H25N5/c1-3-12-26(13-4-1)36-40-37(27-14-5-2-6-15-27)42-38(41-36)33-22-21-30(31-18-7-8-19-32(31)33)28-16-11-17-29(24-28)34-25-43-23-10-9-20-35(43)39-34/h1-25H
InChIKeySGJNEMJOHQKTPY-UHFFFAOYSA-N
MW551.65 g/mol
LogP9.01
Rot. Bonds5

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

2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 168835940) has the molecular formula C38H25N5 and a molecular weight of 551.65 g/mol. Its IUPAC name is 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID168835940
Molecular FormulaC38H25N5
Molecular Weight551.65 g/mol
Exact Mass551.21
IUPAC Name2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cn6ccccc6n5)c4)c4ccccc34)n2)cc1
InChIInChI=1S/C38H25N5/c1-3-12-26(13-4-1)36-40-37(27-14-5-2-6-15-27)42-38(41-36)33-22-21-30(31-18-7-8-19-32(31)33)28-16-11-17-29(24-28)34-25-43-23-10-9-20-35(43)39-34/h1-25H
InChIKeySGJNEMJOHQKTPY-UHFFFAOYSA-N
XLogP9.01
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.65
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine;2-[4-[4,6-di(phenanthren-9-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine;2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]imidazo[1,2-a]pyridine
CID 159814445
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7-imidazo[1,2-a]pyridin-2-yl-9-phenylcarbazole
CID 168835786
2-imidazo[1,2-a]pyridin-2-yl-9-(4-phenyl-6-triphenylen-2-yl-1,3,5-triazin-2-yl)carbazole
CID 168835795
2-[3-[4-[3-(4,6-diphenyl-2-pyridinyl)phenyl]naphthalen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943423
5-imidazo[1,2-a]pyridin-2-yl-9-phenyl-10,15-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-1,3,5,7,9,11,13-heptaene
CID 139396804
2-(3-bromophenyl)imidazo[1,2-a]pyridine;ethane
CID 123472664
9-[4-(3-imidazo[1,2-a]pyridin-2-ylphenyl)phenyl]-8,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
CID 130393079
2-[4-[6-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 174244175
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine
CID 735320
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydrobromide
CID 19234119
2-(3,4-dimethylphenyl)imidazo[1,2-a]pyridine;hydroiodide
CID 45134937
2-naphthalen-1-yl-4-phenyl-6-(4-phenylnaphthalen-1-yl)-1,3,5-triazine
CID 165054491

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine (CID 168835940) is 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5cn6ccccc6n5)c4)c4ccccc34)n2)cc1.
What is the InChIKey of 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is SGJNEMJOHQKTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H25N5/c1-3-12-26(13-4-1)36-40-37(27-14-5-2-6-15-27)42-38(41-36)33-22-21-30(31-18-7-8-19-32(31)33)28-16-11-17-29(24-28)34-25-43-23-10-9-20-35(43)39-34/h1-25H.
What are the key properties of 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine?
2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 551.65 g/mol, XLogP of 9.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 168835940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).