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

C58H37N3O — CID 146367964

IUPAC2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cc5c(cc4-c4ccccc4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C58H37N3O/c1-5-19-38(20-6-1)48-36-50-44-29-13-15-33-51(44)58(42-25-9-3-10-26-42,43-27-11-4-12-28-43)52(50)37-49(48)40-23-17-24-41(35-40)56-59-55(39-21-7-2-8-22-39)60-57(61-56)47-32-18-31-46-45-30-14-16-34-53(45)62-54(46)47/h1-37H
InChIKeyRFFVNVJWICYNRP-UHFFFAOYSA-N
MW791.95 g/mol
LogP14.47
Rot. Bonds7

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

2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine (PubChem CID 146367964) has the molecular formula C58H37N3O and a molecular weight of 791.95 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
PubChem CID146367964
Molecular FormulaC58H37N3O
Molecular Weight791.95 g/mol
Exact Mass791.29
IUPAC Name2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4cc5c(cc4-c4ccccc4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C58H37N3O/c1-5-19-38(20-6-1)48-36-50-44-29-13-15-33-51(44)58(42-25-9-3-10-26-42,43-27-11-4-12-28-43)52(50)37-49(48)40-23-17-24-41(35-40)56-59-55(39-21-7-2-8-22-39)60-57(61-56)47-32-18-31-46-45-30-14-16-34-53(45)62-54(46)47/h1-37H
InChIKeyRFFVNVJWICYNRP-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-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzofuran-4-yl-4-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 146367757
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
2-dibenzofuran-4-yl-4-[3-(9,9-diphenylfluoren-2-yl)-5-phenylphenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 164799713
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
bis(4-phenyl-2-(2,9,9-triphenylfluoren-3-yl)-[1]benzofuro[3,2-d]pyrimidine);bis(4-phenyl-2-(3,9,9-triphenylfluoren-2-yl)-[1]benzofuro[3,2-d]pyrimidine)
CID 161102117
4-[3-(2-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601926
4-(4-dibenzofuran-4-ylphenyl)-6-[3-(9,9-diphenylfluoren-3-yl)-5-phenylphenyl]-2-phenylpyrimidine
CID 171601945
2,4-diphenyl-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(3-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[3-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 159302076
2-dibenzofuran-4-yl-4-phenyl-6-[9-(3-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821314
2-(9,9-diphenylfluoren-2-yl)-4-(4-naphtho[1,2-b][1]benzofuran-4-ylphenyl)-6-phenyl-1,3,5-triazine;2-(3-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-(4-naphtho[1,2-b][1]benzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 161426353
4-dibenzofuran-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 146669920
4-(3-dibenzofuran-4-ylphenyl)-2-phenyl-6-[2-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603283

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine (CID 146367964) is 2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4cc5c(cc4-c4ccccc4)-c4ccccc4C5(c4ccccc4)c4ccccc4)c3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is RFFVNVJWICYNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3O/c1-5-19-38(20-6-1)48-36-50-44-29-13-15-33-51(44)58(42-25-9-3-10-26-42,43-27-11-4-12-28-43)52(50)37-49(48)40-23-17-24-41(35-40)56-59-55(39-21-7-2-8-22-39)60-57(61-56)47-32-18-31-46-45-30-14-16-34-53(45)62-54(46)47/h1-37H.
What are the key properties of 2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-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-phenyl-6-[3-(3,9,9-triphenylfluoren-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 146367964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).