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

C52H31N3O2 — CID 146581933

IUPAC2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccccc54)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C52H31N3O2/c1-2-13-32(14-3-1)49-53-50(55-51(54-49)41-19-12-24-46-48(41)40-18-7-11-23-45(40)56-46)33-25-27-34(28-26-33)52(42-20-8-4-15-36(42)37-16-5-9-21-43(37)52)35-29-30-39-38-17-6-10-22-44(38)57-47(39)31-35/h1-31H
InChIKeyBISFDBIVHRCLSG-UHFFFAOYSA-N
MW729.84 g/mol
LogP13.03
Rot. Bonds5

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

2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 146581933) has the molecular formula C52H31N3O2 and a molecular weight of 729.84 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID146581933
Molecular FormulaC52H31N3O2
Molecular Weight729.84 g/mol
Exact Mass729.24
IUPAC Name2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(C4(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccccc54)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C52H31N3O2/c1-2-13-32(14-3-1)49-53-50(55-51(54-49)41-19-12-24-46-48(41)40-18-7-11-23-45(40)56-46)33-25-27-34(28-26-33)52(42-20-8-4-15-36(42)37-16-5-9-21-43(37)52)35-29-30-39-38-17-6-10-22-44(38)57-47(39)31-35/h1-31H
InChIKeyBISFDBIVHRCLSG-UHFFFAOYSA-N
XLogP13.03
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.84
LogP ≤ 513.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 146581682
2-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 146581865
2-[3-[4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581940
2-dibenzofuran-3-yl-4-(9-phenyldibenzofuran-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361088
2-phenyl-4-[8-(8-phenyldibenzofuran-3-yl)dibenzofuran-1-yl]-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361924
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 162487345
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487343
2-phenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 162487492
2-[3-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[4-[3-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 160588637
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 163602172

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine (CID 146581933) is 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(C4(c5ccc6c(c5)oc5ccccc56)c5ccccc5-c5ccccc54)cc3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is BISFDBIVHRCLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31N3O2/c1-2-13-32(14-3-1)49-53-50(55-51(54-49)41-19-12-24-46-48(41)40-18-7-11-23-45(40)56-46)33-25-27-34(28-26-33)52(42-20-8-4-15-36(42)37-16-5-9-21-43(37)52)35-29-30-39-38-17-6-10-22-44(38)57-47(39)31-35/h1-31H.
What are the key properties of 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 729.84 g/mol, XLogP of 13.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-[4-(9-dibenzofuran-3-ylfluoren-9-yl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 146581933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).