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

C51H37N3O — CID 157181895

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H37N3O/c1-3-12-36(13-4-1)48-52-49(54-50(53-48)43-17-11-16-42-41-15-6-8-19-46(41)55-47(42)43)37-26-24-34(25-27-37)33-20-22-35(23-21-33)38-28-29-40-39-14-5-7-18-44(39)51(45(40)32-38)30-9-2-10-31-51/h1,3-8,11-29,32H,2,9-10,30-31H2
InChIKeyPELCHNRKNDJKRJ-UHFFFAOYSA-N
MW707.88 g/mol
LogP13.34
Rot. Bonds5

About 2-dibenzofuran-4-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 (PubChem CID 157181895) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID157181895
Molecular FormulaC51H37N3O
Molecular Weight707.88 g/mol
Exact Mass707.29
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C51H37N3O/c1-3-12-36(13-4-1)48-52-49(54-50(53-48)43-17-11-16-42-41-15-6-8-19-46(41)55-47(42)43)37-26-24-34(25-27-37)33-20-22-35(23-21-33)38-28-29-40-39-14-5-7-18-44(39)51(45(40)32-38)30-9-2-10-31-51/h1,3-8,11-29,32H,2,9-10,30-31H2
InChIKeyPELCHNRKNDJKRJ-UHFFFAOYSA-N
XLogP13.34
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.88
LogP ≤ 513.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-di(dibenzofuran-4-yl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine
CID 159889956
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-dibenzofuran-4-yl-4-phenyl-6-[3-(3-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 158731147
7'-[4-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440763
2,4-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
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-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-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
2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525
2-phenyl-4-(3-phenylphenyl)-6-[3-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159514358

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine (CID 157181895) is 2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)C5(CCCCC5)c5ccccc5-6)cc4)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is PELCHNRKNDJKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O/c1-3-12-36(13-4-1)48-52-49(54-50(53-48)43-17-11-16-42-41-15-6-8-19-46(41)55-47(42)43)37-26-24-34(25-27-37)33-20-22-35(23-21-33)38-28-29-40-39-14-5-7-18-44(39)51(45(40)32-38)30-9-2-10-31-51/h1,3-8,11-29,32H,2,9-10,30-31H2.
What are the key properties of 2-dibenzofuran-4-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 has a molecular weight of 707.88 g/mol, XLogP of 13.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-phenyl-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 157181895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).