2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine

C59H37N5 — CID 177297031

IUPAC2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4ccccc4-c4c(-c5ccccc5)nc5ccccn45)n3)cc2)cc1
InChIInChI=1S/C59H37N5/c1-3-17-38(18-4-1)39-30-32-41(33-31-39)56-61-57(63-58(62-56)48-25-8-7-24-47(48)55-54(40-19-5-2-6-20-40)60-53-29-15-16-36-64(53)55)42-34-35-46-45-23-11-14-28-51(45)59(52(46)37-42)49-26-12-9-21-43(49)44-22-10-13-27-50(44)59/h1-37H
InChIKeyAGPBBNAPNJAANL-UHFFFAOYSA-N
MW815.98 g/mol
LogP13.86
Rot. Bonds6

About 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine

2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine (PubChem CID 177297031) has the molecular formula C59H37N5 and a molecular weight of 815.98 g/mol. Its IUPAC name is 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine
PubChem CID177297031
Molecular FormulaC59H37N5
Molecular Weight815.98 g/mol
Exact Mass815.30
IUPAC Name2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4ccccc4-c4c(-c5ccccc5)nc5ccccn45)n3)cc2)cc1
InChIInChI=1S/C59H37N5/c1-3-17-38(18-4-1)39-30-32-41(33-31-39)56-61-57(63-58(62-56)48-25-8-7-24-47(48)55-54(40-19-5-2-6-20-40)60-53-29-15-16-36-64(53)55)42-34-35-46-45-23-11-14-28-51(45)59(52(46)37-42)49-26-12-9-21-43(49)44-22-10-13-27-50(44)59/h1-37H
InChIKeyAGPBBNAPNJAANL-UHFFFAOYSA-N
XLogP13.86
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500815.98
LogP ≤ 513.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
2-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296992
4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296985
3-(9,9-diphenylfluoren-2-yl)-2-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]imidazo[1,2-a]pyridine
CID 168835958
3-phenyl-2-[3-[6-phenyl-2-(9,9'-spirobi[fluorene]-2-yl)pyrimidin-4-yl]phenyl]imidazo[1,2-a]pyridine
CID 177296995
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)-9,9-diphenylfluoren-2-yl]-3-phenylimidazo[1,2-a]pyridine
CID 168835942
2-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296967
2-[2-[4-dibenzofuran-3-yl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]-3-phenylimidazo[1,2-a]pyridine
CID 177297074
2-phenyl-4-(2-phenylphenyl)-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazine
CID 167177813
2-phenyl-3-[3-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-b]isoquinoline
CID 177296966
2-phenyl-4-(4-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-yl-1,3,5-triazine
CID 146778446

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine (CID 177297031) is 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine is c1ccc(-c2ccc(-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4ccccc4-c4c(-c5ccccc5)nc5ccccn45)n3)cc2)cc1.
What is the InChIKey of 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is AGPBBNAPNJAANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H37N5/c1-3-17-38(18-4-1)39-30-32-41(33-31-39)56-61-57(63-58(62-56)48-25-8-7-24-47(48)55-54(40-19-5-2-6-20-40)60-53-29-15-16-36-64(53)55)42-34-35-46-45-23-11-14-28-51(45)59(52(46)37-42)49-26-12-9-21-43(49)44-22-10-13-27-50(44)59/h1-37H.
What are the key properties of 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine?
2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 815.98 g/mol, XLogP of 13.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[2-[4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 177297031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).