2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine

C57H39N3O2 — CID 159889956

IUPAC2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cc4)cc3)cc1C21CCCCC1
InChIInChI=1S/C57H39N3O2/c1-8-32-57(33-9-1)48-19-5-2-12-40(48)41-31-30-39(34-49(41)57)37-24-22-35(23-25-37)36-26-28-38(29-27-36)54-58-55(46-17-10-15-44-42-13-3-6-20-50(42)61-52(44)46)60-56(59-54)47-18-11-16-45-43-14-4-7-21-51(43)62-53(45)47/h2-7,10-31,34H,1,8-9,32-33H2
InChIKeyQJOGWHZVRQIEAF-UHFFFAOYSA-N
MW797.96 g/mol
LogP15.24
Rot. Bonds5

About 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine

2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 159889956) has the molecular formula C57H39N3O2 and a molecular weight of 797.96 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID159889956
Molecular FormulaC57H39N3O2
Molecular Weight797.96 g/mol
Exact Mass797.30
IUPAC Name2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cc4)cc3)cc1C21CCCCC1
InChIInChI=1S/C57H39N3O2/c1-8-32-57(33-9-1)48-19-5-2-12-40(48)41-31-30-39(34-49(41)57)37-24-22-35(23-25-37)36-26-28-38(29-27-36)54-58-55(46-17-10-15-44-42-13-3-6-20-50(42)61-52(44)46)60-56(59-54)47-18-11-16-45-43-14-4-7-21-51(43)62-53(45)47/h2-7,10-31,34H,1,8-9,32-33H2
InChIKeyQJOGWHZVRQIEAF-UHFFFAOYSA-N
XLogP15.24
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.96
LogP ≤ 515.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181895
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 158110650
2-dibenzofuran-2-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 157181892
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 160926464
2,4-di(dibenzofuran-3-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
CID 157367070
7'-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440763
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 158731147
2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)-1,3,5-triazine
CID 159384957
2-(4-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine;2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)-1,3,5-triazine;4,4,5,5-tetramethyl-2-spiro[cyclohexane-1,9'-fluorene]-2'-yl-1,3,2-dioxaborolane
CID 161055745
2-dibenzofuran-4-yl-4-phenyl-6-[3-(4-phenyl-6-spiro[cyclohexane-1,9'-fluorene]-4'-yl-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine
CID 174300084
2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525
2,4-di(dibenzofuran-1-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-2-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143524

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine (CID 159889956) is 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine is c1ccc2c(c1)-c1ccc(-c3ccc(-c4ccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7c6oc6ccccc67)n5)cc4)cc3)cc1C21CCCCC1.
What is the InChIKey of 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is QJOGWHZVRQIEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H39N3O2/c1-8-32-57(33-9-1)48-19-5-2-12-40(48)41-31-30-39(34-49(41)57)37-24-22-35(23-25-37)36-26-28-38(29-27-36)54-58-55(46-17-10-15-44-42-13-3-6-20-50(42)61-52(44)46)60-56(59-54)47-18-11-16-45-43-14-4-7-21-51(43)62-53(45)47/h2-7,10-31,34H,1,8-9,32-33H2.
What are the key properties of 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine?
2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine has a molecular weight of 797.96 g/mol, XLogP of 15.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 159889956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).