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

C64H41N3O — CID 166002825

IUPAC2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)cc6c45)n3)cc2)cc1
InChIInChI=1S/C64H41N3O/c1-5-18-42(19-6-1)44-34-36-45(37-35-44)61-65-62(48-23-15-22-46(40-48)43-20-7-2-8-21-43)67-63(66-61)53-30-17-33-58-60(53)54-41-47(38-39-57(54)68-58)51-29-16-32-56-59(51)52-28-13-14-31-55(52)64(56,49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-41H
InChIKeyBHWUDHKEYYFORI-UHFFFAOYSA-N
MW868.05 g/mol
LogP16.14
Rot. Bonds8

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

2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 166002825) has the molecular formula C64H41N3O and a molecular weight of 868.05 g/mol. Its IUPAC name is 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID166002825
Molecular FormulaC64H41N3O
Molecular Weight868.05 g/mol
Exact Mass867.32
IUPAC Name2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)cc6c45)n3)cc2)cc1
InChIInChI=1S/C64H41N3O/c1-5-18-42(19-6-1)44-34-36-45(37-35-44)61-65-62(48-23-15-22-46(40-48)43-20-7-2-8-21-43)67-63(66-61)53-30-17-33-58-60(53)54-41-47(38-39-57(54)68-58)51-29-16-32-56-59(51)52-28-13-14-31-55(52)64(56,49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-41H
InChIKeyBHWUDHKEYYFORI-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-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-[8-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002904
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369287
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734786
2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369515
2-(3-phenylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003003
2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369192
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002661
2-dibenzofuran-1-yl-4-[8-[3-[4-(9,9-diphenylfluoren-4-yl)phenyl]phenyl]dibenzofuran-4-yl]-6-phenyl-1,3,5-triazine
CID 146651227
2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166003111
2-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399

Frequently Asked Questions

What is the IUPAC name of 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 166002825) is 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5oc6ccc(-c7cccc8c7-c7ccccc7C8(c7ccccc7)c7ccccc7)cc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is BHWUDHKEYYFORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3O/c1-5-18-42(19-6-1)44-34-36-45(37-35-44)61-65-62(48-23-15-22-46(40-48)43-20-7-2-8-21-43)67-63(66-61)53-30-17-33-58-60(53)54-41-47(38-39-57(54)68-58)51-29-16-32-56-59(51)52-28-13-14-31-55(52)64(56,49-24-9-3-10-25-49)50-26-11-4-12-27-50/h1-41H.
What are the key properties of 2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-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-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166002825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).