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

C60H49N3O — CID 177242613

IUPAC2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc2c1oc1c(C(C)(C)C)ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12
InChIInChI=1S/C60H49N3O/c1-58(2,3)49-34-33-46(57-62-55(38-21-11-7-12-22-38)61-56(63-57)39-23-13-8-14-24-39)52-47-35-41(37-51(59(4,5)6)53(47)64-54(49)52)40-31-32-45-44-29-19-20-30-48(44)60(50(45)36-40,42-25-15-9-16-26-42)43-27-17-10-18-28-43/h7-37H,1-6H3
InChIKeyAVINUFRVLOBSMY-UHFFFAOYSA-N
MW828.07 g/mol
LogP15.40
Rot. Bonds6

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

2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 177242613) has the molecular formula C60H49N3O and a molecular weight of 828.07 g/mol. Its IUPAC name is 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID177242613
Molecular FormulaC60H49N3O
Molecular Weight828.07 g/mol
Exact Mass827.39
IUPAC Name2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
SMILESCC(C)(C)c1cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc2c1oc1c(C(C)(C)C)ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12
InChIInChI=1S/C60H49N3O/c1-58(2,3)49-34-33-46(57-62-55(38-21-11-7-12-22-38)61-56(63-57)39-23-13-8-14-24-39)52-47-35-41(37-51(59(4,5)6)53(47)64-54(49)52)40-31-32-45-44-29-19-20-30-48(44)60(50(45)36-40,42-25-15-9-16-26-42)43-27-17-10-18-28-43/h7-37H,1-6H3
InChIKeyAVINUFRVLOBSMY-UHFFFAOYSA-N
XLogP15.40
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500828.07
LogP ≤ 515.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-4-(9,9'-spirobi[fluorene]-2-yl)-6-[4-(2,6,8-tritert-butyldibenzofuran-4-yl)phenyl]-1,3,5-triazine
CID 177242641
2-[10-(9,9-diphenylfluoren-2-yl)triphenylen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 138600364
2-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 147385970
2-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153368858
2-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 139521072
2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 122416307
[4-[4-[4-[9,9-bis(4-tert-butylphenyl)fluoren-2-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-trimethylsilane
CID 177088328
2-dibenzofuran-4-yl-4-[4-(9,9-diphenylfluoren-2-yl)phenyl]-6-(2-phenylphenyl)-1,3,5-triazine
CID 165160204
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003091
2-[7-(3,5-diphenylphenyl)-9,9-diphenylfluoren-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 170441832
2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002378
2-(9,9-diphenylfluoren-2-yl)-4-(2,4-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(3,5-diphenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;2-(9,9-diphenylfluoren-2-yl)-4-(2-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 161043572

Frequently Asked Questions

What is the IUPAC name of 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine (CID 177242613) is 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is CC(C)(C)c1cc(-c2ccc3c(c2)C(c2ccccc2)(c2ccccc2)c2ccccc2-3)cc2c1oc1c(C(C)(C)C)ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c12.
What is the InChIKey of 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is AVINUFRVLOBSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H49N3O/c1-58(2,3)49-34-33-46(57-62-55(38-21-11-7-12-22-38)61-56(63-57)39-23-13-8-14-24-39)52-47-35-41(37-51(59(4,5)6)53(47)64-54(49)52)40-31-32-45-44-29-19-20-30-48(44)60(50(45)36-40,42-25-15-9-16-26-42)43-27-17-10-18-28-43/h7-37H,1-6H3.
What are the key properties of 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine?
2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 828.07 g/mol, XLogP of 15.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-ditert-butyl-8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 177242613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).