2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

C52H33N3O — CID 147385970

IUPAC2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc34)n2)cc1
InChIInChI=1S/C52H33N3O/c1-5-15-34(16-6-1)49-53-50(35-17-7-2-8-18-35)55-51(54-49)38-26-29-43-44-31-36(27-30-47(44)56-48(43)33-38)37-25-28-42-41-23-13-14-24-45(41)52(46(42)32-37,39-19-9-3-10-20-39)40-21-11-4-12-22-40/h1-33H
InChIKeyDLXBUVBARFHCRE-UHFFFAOYSA-N
MW715.86 g/mol
LogP12.80
Rot. Bonds6

About 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine

2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 147385970) has the molecular formula C52H33N3O and a molecular weight of 715.86 g/mol. Its IUPAC name is 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID147385970
Molecular FormulaC52H33N3O
Molecular Weight715.86 g/mol
Exact Mass715.26
IUPAC Name2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc34)n2)cc1
InChIInChI=1S/C52H33N3O/c1-5-15-34(16-6-1)49-53-50(35-17-7-2-8-18-35)55-51(54-49)38-26-29-43-44-31-36(27-30-47(44)56-48(43)33-38)37-25-28-42-41-23-13-14-24-45(41)52(46(42)32-37,39-19-9-3-10-20-39)40-21-11-4-12-22-40/h1-33H
InChIKeyDLXBUVBARFHCRE-UHFFFAOYSA-N
XLogP12.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.86
LogP ≤ 512.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]naphthalen-2-yl]-1,3,5-triazine
CID 162487312
2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
4-(9,9-diphenylfluoren-2-yl)-6-[4-(7-fluorodibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 171603323
2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 162487345
2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361924
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
4-(4-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-(3-phenylphenyl)pyrimidine
CID 171603049
4-[4-(4-dibenzofuran-3-ylnaphthalen-1-yl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171603662
2-dibenzofuran-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821113
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603052
4-(2-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171601905

Frequently Asked Questions

What is the IUPAC name of 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine (CID 147385970) is 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)oc3ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc34)n2)cc1.
What is the InChIKey of 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is DLXBUVBARFHCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O/c1-5-15-34(16-6-1)49-53-50(35-17-7-2-8-18-35)55-51(54-49)38-26-29-43-44-31-36(27-30-47(44)56-48(43)33-38)37-25-28-42-41-23-13-14-24-45(41)52(46(42)32-37,39-19-9-3-10-20-39)40-21-11-4-12-22-40/h1-33H.
What are the key properties of 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine?
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 715.86 g/mol, XLogP of 12.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 147385970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).