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

C172H115N15 — CID 165003633

IUPAC2-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6nc7ccccn7c6-c6ccccc6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6nc7ccccn7c6-c6ccccc6)cc5)cc(-c5cccc6ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/2C58H39N5.C56H37N5/c2*1-5-15-40(16-6-1)43-26-32-48(33-27-43)56-60-57(49-34-28-44(29-35-49)41-17-7-2-8-18-41)62-58(61-56)52-38-50(42-19-9-3-10-20-42)37-51(39-52)45-24-30-46(31-25-45)54-55(47-21-11-4-12-22-47)63-36-14-13-23-53(63)59-54;1-4-15-38(16-5-1)39-28-32-45(33-29-39)55-58-54(44-20-8-3-9-21-44)59-56(60-55)48-36-46(35-47(37-48)50-24-14-22-41-17-10-11-23-49(41)50)40-26-30-42(31-27-40)52-53(43-18-6-2-7-19-43)61-34-13-12-25-51(61)57-52/h2*1-39H;1-37H/i3D,9D,10D,19D,20D;;
InChIKeyIQBRCCSDSBSNIL-HBWFFSFYSA-N
MW2396.95 g/mol
LogP43.05
Rot. Bonds26

About 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

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 (PubChem CID 165003633) has the molecular formula C172H115N15 and a molecular weight of 2396.95 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID165003633
Molecular FormulaC172H115N15
Molecular Weight2396.95 g/mol
Exact Mass2394.98
IUPAC Name2-[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
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6nc7ccccn7c6-c6ccccc6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccc(-c6nc7ccccn7c6-c6ccccc6)cc5)cc(-c5cccc6ccccc56)c4)n3)cc2)cc1
InChIInChI=1S/2C58H39N5.C56H37N5/c2*1-5-15-40(16-6-1)43-26-32-48(33-27-43)56-60-57(49-34-28-44(29-35-49)41-17-7-2-8-18-41)62-58(61-56)52-38-50(42-19-9-3-10-20-42)37-51(39-52)45-24-30-46(31-25-45)54-55(47-21-11-4-12-22-47)63-36-14-13-23-53(63)59-54;1-4-15-38(16-5-1)39-28-32-45(33-29-39)55-58-54(44-20-8-3-9-21-44)59-56(60-55)48-36-46(35-47(37-48)50-24-14-22-41-17-10-11-23-49(41)50)40-26-30-42(31-27-40)52-53(43-18-6-2-7-19-43)61-34-13-12-25-51(61)57-52/h2*1-39H;1-37H/i3D,9D,10D,19D,20D;;
InChIKeyIQBRCCSDSBSNIL-HBWFFSFYSA-N
XLogP43.05
TPSA167.91 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms187
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002396.95
LogP ≤ 543.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 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 with MolForge

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Related Compounds

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
2-[3-[3-naphthalen-1-yl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;2-[4-[3-naphthalen-1-yl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;2-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-1-phenylbenzimidazole;1-phenyl-2-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 164958744
1,2-diphenyl-6-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]benzimidazole;1-[3-[3-naphthalen-1-yl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-phenylbenzimidazole;1-[3-[3-(2,3,4,5,6-pentadeuteriophenyl)-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]-2-phenylbenzimidazole;2-phenyl-1-[3-[3-phenyl-5-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]phenyl]phenyl]benzimidazole
CID 165032735
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
2-[3-(4-naphthalen-1-ylphenyl)phenyl]-4-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 169302456
1,2,3,4,5,6,7,8-octadeuterio-9-[3-[4-(4-naphthalen-1-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]-5-(2,3,4,5,6-pentadeuteriophenyl)phenyl]carbazole
CID 170536653
2-(4-naphthalen-1-ylphenyl)-4-[3-[6-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 166022217
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(-c2cc(-c3ccc(-c4nc5ccccn5c4-c4ccccc4)cc3)cc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(-c5ccccc5)cc4)n3)c2)c([2H])c1[2H].c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6nc7ccccn7c6-c6ccccc6)cc5)c4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)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-(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?
The InChIKey is IQBRCCSDSBSNIL-HBWFFSFYSA-N. The full InChI is InChI=1S/2C58H39N5.C56H37N5/c2*1-5-15-40(16-6-1)43-26-32-48(33-27-43)56-60-57(49-34-28-44(29-35-49)41-17-7-2-8-18-41)62-58(61-56)52-38-50(42-19-9-3-10-20-42)37-51(39-52)45-24-30-46(31-25-45)54-55(47-21-11-4-12-22-47)63-36-14-13-23-53(63)59-54;1-4-15-38(16-5-1)39-28-32-45(33-29-39)55-58-54(44-20-8-3-9-21-44)59-56(60-55)48-36-46(35-47(37-48)50-24-14-22-41-17-10-11-23-49(41)50)40-26-30-42(31-27-40)52-53(43-18-6-2-7-19-43)61-34-13-12-25-51(61)57-52/h2*1-39H;1-37H/i3D,9D,10D,19D,20D;;.
What are the key properties of 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?
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 has a molecular weight of 2396.95 g/mol, XLogP of 43.05, 26 rotatable bonds, 0 hydrogen bond donors, and 15 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-(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 is sourced from PubChem (CID 165003633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).