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

C51H37N3O — CID 158747290

IUPAC2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65CCCCC5)c4)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C51H37N3O/c1-3-13-34(14-4-1)48-52-49(54-50(53-48)38-27-28-46-42(32-38)40-17-6-8-22-45(40)55-46)35-25-23-33(24-26-35)36-15-11-16-37(31-36)39-19-12-21-44-47(39)41-18-5-7-20-43(41)51(44)29-9-2-10-30-51/h1,3-8,11-28,31-32H,2,9-10,29-30H2
InChIKeyMROKGYGMEOBVIU-UHFFFAOYSA-N
MW707.88 g/mol
LogP13.34
Rot. Bonds5

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

2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine (PubChem CID 158747290) has the molecular formula C51H37N3O and a molecular weight of 707.88 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
PubChem CID158747290
Molecular FormulaC51H37N3O
Molecular Weight707.88 g/mol
Exact Mass707.29
IUPAC Name2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65CCCCC5)c4)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C51H37N3O/c1-3-13-34(14-4-1)48-52-49(54-50(53-48)38-27-28-46-42(32-38)40-17-6-8-22-45(40)55-46)35-25-23-33(24-26-35)36-15-11-16-37(31-36)39-19-12-21-44-47(39)41-18-5-7-20-43(41)51(44)29-9-2-10-30-51/h1,3-8,11-28,31-32H,2,9-10,29-30H2
InChIKeyMROKGYGMEOBVIU-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-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 158747289
2,4-di(dibenzofuran-2-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 159690137
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
2-phenyl-4-(4-phenylphenyl)-6-[3-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 159255528
5'-[3-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440561
2-phenyl-4-(4-phenylphenyl)-6-[4-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 160653174
2-dibenzofuran-2-yl-4-(4-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine;2-dibenzofuran-3-yl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-3'-ylphenyl)phenyl]-1,3,5-triazine
CID 159562639
5'-[4-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-2'-carbonitrile
CID 171440715
2-phenyl-4-(3-phenylphenyl)-6-[4-(4-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine
CID 159019694
2,4-di(dibenzofuran-4-yl)-6-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)-1,3,5-triazine
CID 158143525
5'-[4-[4-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]spiro[cyclohexane-1,9'-fluorene]-3'-carbonitrile
CID 171440421
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine (CID 158747290) is 2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4cccc(-c5cccc6c5-c5ccccc5C65CCCCC5)c4)cc3)nc(-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine?
The InChIKey is MROKGYGMEOBVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H37N3O/c1-3-13-34(14-4-1)48-52-49(54-50(53-48)38-27-28-46-42(32-38)40-17-6-8-22-45(40)55-46)35-25-23-33(24-26-35)36-15-11-16-37(31-36)39-19-12-21-44-47(39)41-18-5-7-20-43(41)51(44)29-9-2-10-30-51/h1,3-8,11-28,31-32H,2,9-10,29-30H2.
What are the key properties of 2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine?
2-dibenzofuran-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-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-2-yl-4-phenyl-6-[4-(3-spiro[cyclohexane-1,9'-fluorene]-4'-ylphenyl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 158747290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).