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

C52H35N3O — CID 167200648

IUPAC2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc34)N2)cc1
InChIInChI=1S/C52H35N3O/c1-5-16-34(17-6-1)49-53-50(35-18-7-2-8-19-35)55-51(54-49)37-28-30-41-43-32-36(29-31-46(43)56-47(41)33-37)40-25-15-27-45-48(40)42-24-13-14-26-44(42)52(45,38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-33,49H,(H,53,54,55)
InChIKeyIXQDKZIAPOHFJV-UHFFFAOYSA-N
MW717.87 g/mol
LogP12.11
Rot. Bonds6

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

2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (PubChem CID 167200648) has the molecular formula C52H35N3O and a molecular weight of 717.87 g/mol. Its IUPAC name is 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
PubChem CID167200648
Molecular FormulaC52H35N3O
Molecular Weight717.87 g/mol
Exact Mass717.28
IUPAC Name2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
SMILESc1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc34)N2)cc1
InChIInChI=1S/C52H35N3O/c1-5-16-34(17-6-1)49-53-50(35-18-7-2-8-19-35)55-51(54-49)37-28-30-41-43-32-36(29-31-46(43)56-47(41)33-37)40-25-15-27-45-48(40)42-24-13-14-26-44(42)52(45,38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-33,49H,(H,53,54,55)
InChIKeyIXQDKZIAPOHFJV-UHFFFAOYSA-N
XLogP12.11
TPSA49.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.87
LogP ≤ 512.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine;hydroiodide
CID 156734683
4-(4-dibenzofuran-2-yl-9-phenylfluoren-9-yl)pyridine
CID 135173145
6-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-2,4-diphenyl-1,2,3,4-tetrahydro-1,3,5-triazine
CID 126543719
2-naphtho[2,1-b][1]benzofuran-9-yl-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 156549192
2-(11H-fluoreno[3,2-b][1]benzofuran-2-yl)-4-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 174326836
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
4-(4-dibenzofuran-3-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603135
4-(2-dibenzofuran-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171602845
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
2-(9-naphthalen-1-yldibenzofuran-3-yl)-4,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 166961458
2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
4-[3-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 139400710

Frequently Asked Questions

What is the IUPAC name of 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The IUPAC name of 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine (CID 167200648) is 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The canonical SMILES for 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is c1ccc(C2=NC(c3ccccc3)N=C(c3ccc4c(c3)oc3ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc34)N2)cc1.
What is the InChIKey of 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
The InChIKey is IXQDKZIAPOHFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H35N3O/c1-5-16-34(17-6-1)49-53-50(35-18-7-2-8-19-35)55-51(54-49)37-28-30-41-43-32-36(29-31-46(43)56-47(41)33-37)40-25-15-27-45-48(40)42-24-13-14-26-44(42)52(45,38-20-9-3-10-21-38)39-22-11-4-12-23-39/h1-33,49H,(H,53,54,55).
What are the key properties of 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine?
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine has a molecular weight of 717.87 g/mol, XLogP of 12.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 167200648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).