2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine

C56H33N3O — CID 146649021

IUPAC2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)ccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C56H33N3O/c1-2-14-34(15-3-1)53-57-54(59-55(58-53)44-21-13-27-50-52(44)43-19-7-11-26-49(43)60-50)38-31-29-35-32-37(30-28-36(35)33-38)39-20-12-25-48-51(39)42-18-6-10-24-47(42)56(48)45-22-8-4-16-40(45)41-17-5-9-23-46(41)56/h1-33H
InChIKeyWBTIOAOWVMUZII-UHFFFAOYSA-N
MW763.90 g/mol
LogP13.94
Rot. Bonds4

About 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine

2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine (PubChem CID 146649021) has the molecular formula C56H33N3O and a molecular weight of 763.90 g/mol. Its IUPAC name is 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine
PubChem CID146649021
Molecular FormulaC56H33N3O
Molecular Weight763.90 g/mol
Exact Mass763.26
IUPAC Name2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)ccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1
InChIInChI=1S/C56H33N3O/c1-2-14-34(15-3-1)53-57-54(59-55(58-53)44-21-13-27-50-52(44)43-19-7-11-26-49(43)60-50)38-31-29-35-32-37(30-28-36(35)33-38)39-20-12-25-48-51(39)42-18-6-10-24-47(42)56(48)45-22-8-4-16-40(45)41-17-5-9-23-46(41)56/h1-33H
InChIKeyWBTIOAOWVMUZII-UHFFFAOYSA-N
XLogP13.94
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500763.90
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146648601
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734786
2-[8-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002904
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
2,4-diphenyl-6-[1-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 153284122
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368965
2-dibenzofuran-1-yl-4-phenyl-6-[3-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-1,3,5-triazine
CID 146649061
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-dibenzofuran-1-yl-4-phenyl-6-[4-(6-phenylnaphthalen-2-yl)phenyl]-1,3,5-triazine
CID 171607713
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine (CID 146649021) is 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc4cc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)ccc4c3)nc(-c3cccc4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine?
The InChIKey is WBTIOAOWVMUZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H33N3O/c1-2-14-34(15-3-1)53-57-54(59-55(58-53)44-21-13-27-50-52(44)43-19-7-11-26-49(43)60-50)38-31-29-35-32-37(30-28-36(35)33-38)39-20-12-25-48-51(39)42-18-6-10-24-47(42)56(48)45-22-8-4-16-40(45)41-17-5-9-23-46(41)56/h1-33H.
What are the key properties of 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine?
2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine has a molecular weight of 763.90 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-yl-4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazine is sourced from PubChem (CID 146649021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).