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

C62H41N5 — CID 164781104

IUPAC2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-1-ylphenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc(-c6nc7ccccn7c6-c6ccccc6)cc5)cc(-c5cccc6ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C62H41N5/c1-4-15-42(16-5-1)44-28-34-50(35-29-44)60-64-61(51-36-30-45(31-37-51)43-17-6-2-7-18-43)66-62(65-60)54-40-52(39-53(41-54)56-24-14-22-47-19-10-11-23-55(47)56)46-26-32-48(33-27-46)58-59(49-20-8-3-9-21-49)67-38-13-12-25-57(67)63-58/h1-41H
InChIKeyLKTUOKKXQCJMBY-UHFFFAOYSA-N
MW856.04 g/mol
LogP15.68
Rot. Bonds9

About 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

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 (PubChem CID 164781104) has the molecular formula C62H41N5 and a molecular weight of 856.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-1-ylphenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
PubChem CID164781104
Molecular FormulaC62H41N5
Molecular Weight856.04 g/mol
Exact Mass855.34
IUPAC Name2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-naphthalen-1-ylphenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc(-c6nc7ccccn7c6-c6ccccc6)cc5)cc(-c5cccc6ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/C62H41N5/c1-4-15-42(16-5-1)44-28-34-50(35-29-44)60-64-61(51-36-30-45(31-37-51)43-17-6-2-7-18-43)66-62(65-60)54-40-52(39-53(41-54)56-24-14-22-47-19-10-11-23-55(47)56)46-26-32-48(33-27-46)58-59(49-20-8-3-9-21-49)67-38-13-12-25-57(67)63-58/h1-41H
InChIKeyLKTUOKKXQCJMBY-UHFFFAOYSA-N
XLogP15.68
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 515.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[4-[3-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-5-phenylphenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine;2-[4-[3-naphthalen-1-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 165003633
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-[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-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 168835931
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-[4-naphthalen-1-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 177296980
3-[4-[3-[(3E)-2,6-dimethylhepta-1,3,5-trien-4-yl]-5-naphthalen-1-ylphenyl]phenyl]-2-phenylimidazo[1,2-a]pyridine
CID 155306921
6-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-naphthalen-1-ylphenyl]phenyl]phenanthridine
CID 129201356
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-(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
4-phenyl-2-[3-phenyl-5-[3-(3-phenylimidazo[1,2-a]pyridin-2-yl)phenyl]phenyl]benzo[h]quinazoline
CID 164781233
2-[3-[3,5-bis(3-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[3-[3-(2-phenylphenyl)phenyl]phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-(3-phenylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[2-(2-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2,4-diphenyl-6-[3-[3-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(4-naphthalen-1-ylphenyl)-5-(4-phenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158640936

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccc(-c6nc7ccccn7c6-c6ccccc6)cc5)cc(-c5cccc6ccccc56)c4)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is LKTUOKKXQCJMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H41N5/c1-4-15-42(16-5-1)44-28-34-50(35-29-44)60-64-61(51-36-30-45(31-37-51)43-17-6-2-7-18-43)66-62(65-60)54-40-52(39-53(41-54)56-24-14-22-47-19-10-11-23-55(47)56)46-26-32-48(33-27-46)58-59(49-20-8-3-9-21-49)67-38-13-12-25-57(67)63-58/h1-41H.
What are the key properties of 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?
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 has a molecular weight of 856.04 g/mol, XLogP of 15.68, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164781104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).