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

C59H35N5O — CID 177297074

IUPAC2-[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
SMILESc1ccc(-c2c(-c3ccccc3-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4ccc5c(c4)oc4ccccc45)n3)nc3ccccn23)cc1
InChIInChI=1S/C59H35N5O/c1-2-16-36(17-3-1)55-54(60-53-28-14-15-33-64(53)55)45-22-4-5-23-46(45)58-62-56(61-57(63-58)38-30-32-44-43-21-9-13-27-51(43)65-52(44)35-38)37-29-31-42-41-20-8-12-26-49(41)59(50(42)34-37)47-24-10-6-18-39(47)40-19-7-11-25-48(40)59/h1-35H
InChIKeyYOPJDXYSCRFHMU-UHFFFAOYSA-N
MW829.96 g/mol
LogP14.10
Rot. Bonds5

About 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

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 (PubChem CID 177297074) has the molecular formula C59H35N5O and a molecular weight of 829.96 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID177297074
Molecular FormulaC59H35N5O
Molecular Weight829.96 g/mol
Exact Mass829.28
IUPAC Name2-[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
SMILESc1ccc(-c2c(-c3ccccc3-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4ccc5c(c4)oc4ccccc45)n3)nc3ccccn23)cc1
InChIInChI=1S/C59H35N5O/c1-2-16-36(17-3-1)55-54(60-53-28-14-15-33-64(53)55)45-22-4-5-23-46(45)58-62-56(61-57(63-58)38-30-32-44-43-21-9-13-27-51(43)65-52(44)35-38)37-29-31-42-41-20-8-12-26-49(41)59(50(42)34-37)47-24-10-6-18-39(47)40-19-7-11-25-48(40)59/h1-35H
InChIKeyYOPJDXYSCRFHMU-UHFFFAOYSA-N
XLogP14.10
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.96
LogP ≤ 514.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-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
4-[4-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-2-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296985
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-dibenzofuran-2-yl-4-(2-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 153288049
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-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296992
2-[3-(2-phenylimidazo[1,2-a]pyridin-3-yl)phenyl]-4-(9,9'-spirobi[fluorene]-2-yl)quinazoline
CID 177296967
2,4-diphenyl-6-[6-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 166952589
2-dibenzofuran-3-yl-4-phenyl-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]-3-yl-1,3,5-triazine
CID 148861286
4-dibenzofuran-3-yl-6-(3-phenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 149321962
4-dibenzofuran-3-yl-2-(3-phenylphenyl)-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylpyrimidine
CID 147777919

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2c(-c3ccccc3-c3nc(-c4ccc5c(c4)C4(c6ccccc6-c6ccccc64)c4ccccc4-5)nc(-c4ccc5c(c4)oc4ccccc45)n3)nc3ccccn23)cc1.
What is the InChIKey of 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?
The InChIKey is YOPJDXYSCRFHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H35N5O/c1-2-16-36(17-3-1)55-54(60-53-28-14-15-33-64(53)55)45-22-4-5-23-46(45)58-62-56(61-57(63-58)38-30-32-44-43-21-9-13-27-51(43)65-52(44)35-38)37-29-31-42-41-20-8-12-26-49(41)59(50(42)34-37)47-24-10-6-18-39(47)40-19-7-11-25-48(40)59/h1-35H.
What are the key properties of 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?
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 has a molecular weight of 829.96 g/mol, XLogP of 14.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177297074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).