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

C64H41N3O — CID 177079133

IUPAC2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)cc1
InChIInChI=1S/C64H41N3O/c1-6-20-42(21-7-1)47-40-52(45-34-36-57-53(38-45)50-30-16-18-32-56(50)64(57,48-26-12-4-13-27-48)49-28-14-5-15-29-49)60(43-22-8-2-9-23-43)55(41-47)63-66-61(44-24-10-3-11-25-44)65-62(67-63)46-35-37-59-54(39-46)51-31-17-19-33-58(51)68-59/h1-41H
InChIKeyDSKHBPGRENQMJJ-UHFFFAOYSA-N
MW868.05 g/mol
LogP16.14
Rot. Bonds8

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

2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine (PubChem CID 177079133) has the molecular formula C64H41N3O and a molecular weight of 868.05 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine
PubChem CID177079133
Molecular FormulaC64H41N3O
Molecular Weight868.05 g/mol
Exact Mass867.32
IUPAC Name2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine
SMILESc1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)cc1
InChIInChI=1S/C64H41N3O/c1-6-20-42(21-7-1)47-40-52(45-34-36-57-53(38-45)50-30-16-18-32-56(50)64(57,48-26-12-4-13-27-48)49-28-14-5-15-29-49)60(43-22-8-2-9-23-43)55(41-47)63-66-61(44-24-10-3-11-25-44)65-62(67-63)46-35-37-59-54(39-46)51-31-17-19-33-58(51)68-59/h1-41H
InChIKeyDSKHBPGRENQMJJ-UHFFFAOYSA-N
XLogP16.14
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.05
LogP ≤ 516.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 177079191
2-dibenzofuran-3-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine
CID 146648582
2-[4-[4-(9-dibenzofuran-2-ylfluoren-9-yl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581949
2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 126544530
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905
2-(2-dibenzofuran-3-yl-9,9-diphenylfluoren-3-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146367670
2-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 177079290
2-[4-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 177078928
2,4-diphenyl-6-[2-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 162487345
2-(6,9,9-triphenylfluoren-3-yl)dibenzofuran
CID 138474933
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
4-[3-dibenzofuran-2-yl-5-[3-(9,9-diphenylfluoren-2-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171584830

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine (CID 177079133) is 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine is c1ccc(-c2cc(-c3ccc4c(c3)-c3ccccc3C4(c3ccccc3)c3ccccc3)c(-c3ccccc3)c(-c3nc(-c4ccccc4)nc(-c4ccc5oc6ccccc6c5c4)n3)c2)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is DSKHBPGRENQMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3O/c1-6-20-42(21-7-1)47-40-52(45-34-36-57-53(38-45)50-30-16-18-32-56(50)64(57,48-26-12-4-13-27-48)49-28-14-5-15-29-49)60(43-22-8-2-9-23-43)55(41-47)63-66-61(44-24-10-3-11-25-44)65-62(67-63)46-35-37-59-54(39-46)51-31-17-19-33-58(51)68-59/h1-41H.
What are the key properties of 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine?
2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 868.05 g/mol, XLogP of 16.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-[3-(9,9-diphenylfluoren-3-yl)-2,5-diphenylphenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 177079133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).