2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine

C58H37N3O — CID 165160204

IUPAC2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C58H37N3O/c1-4-17-39(18-5-1)44-23-10-11-26-49(44)56-59-55(60-57(61-56)50-28-16-27-48-47-25-13-15-30-53(47)62-54(48)50)40-33-31-38(32-34-40)41-35-36-46-45-24-12-14-29-51(45)58(52(46)37-41,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H
InChIKeyBEMSFCJTAJWABQ-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.47
Rot. Bonds7

About 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine

2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine (PubChem CID 165160204) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
PubChem CID165160204
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C58H37N3O/c1-4-17-39(18-5-1)44-23-10-11-26-49(44)56-59-55(60-57(61-56)50-28-16-27-48-47-25-13-15-30-53(47)62-54(48)50)40-33-31-38(32-34-40)41-35-36-46-45-24-12-14-29-51(45)58(52(46)37-41,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H
InChIKeyBEMSFCJTAJWABQ-UHFFFAOYSA-N
XLogP14.47
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.95
LogP ≤ 514.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
2-dibenzofuran-4-yl-4-phenyl-6-(4-spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]-2-ylphenyl)-1,3,5-triazine
CID 155278995
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
2-[4-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 142491019
2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821314
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367964
2-dibenzofuran-1-yl-4-(4-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'-yl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(4-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'-yl-1,3,5-triazine;2-dibenzofuran-4-yl-4-(2-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'-yl-1,3,5-triazine
CID 158983289
2-dibenzofuran-4-yl-4-(2-phenylphenyl)-6-spiro[fluorene-9,9'-xanthene]-2-yl-1,3,5-triazine
CID 167349084
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601945
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171601858

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine (CID 165160204) is 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccccc2-c2nc(-c3ccc(-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?
The InChIKey is BEMSFCJTAJWABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-4-17-39(18-5-1)44-23-10-11-26-49(44)56-59-55(60-57(61-56)50-28-16-27-48-47-25-13-15-30-53(47)62-54(48)50)40-33-31-38(32-34-40)41-35-36-46-45-24-12-14-29-51(45)58(52(46)37-41,42-19-6-2-7-20-42)43-21-8-3-9-22-43/h1-37H.
What are the key properties of 2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine?
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine has a molecular weight of 791.95 g/mol, XLogP of 14.47, 7 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-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 165160204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).