2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

C70H41N3O2 — CID 153368965

IUPAC2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)cc7)cc6c45)n3)cc2)cc1
InChIInChI=1S/C70H41N3O2/c1-2-15-42(16-3-1)43-33-37-46(38-34-43)67-71-68(73-69(72-67)55-24-12-22-52-51-19-7-11-29-61(51)75-66(52)55)54-23-14-30-63-65(54)56-41-47(39-40-62(56)74-63)44-31-35-45(36-32-44)48-21-13-28-60-64(48)53-20-6-10-27-59(53)70(60)57-25-8-4-17-49(57)50-18-5-9-26-58(50)70/h1-41H
InChIKeyWDTKQGYWDJMCGU-UHFFFAOYSA-N
MW956.12 g/mol
LogP18.02
Rot. Bonds6

About 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 153368965) has the molecular formula C70H41N3O2 and a molecular weight of 956.12 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID153368965
Molecular FormulaC70H41N3O2
Molecular Weight956.12 g/mol
Exact Mass955.32
IUPAC Name2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)cc7)cc6c45)n3)cc2)cc1
InChIInChI=1S/C70H41N3O2/c1-2-15-42(16-3-1)43-33-37-46(38-34-43)67-71-68(73-69(72-67)55-24-12-22-52-51-19-7-11-29-61(51)75-66(52)55)54-23-14-30-63-65(54)56-41-47(39-40-62(56)74-63)44-31-35-45(36-32-44)48-21-13-28-60-64(48)53-20-6-10-27-59(53)70(60)57-25-8-4-17-49(57)50-18-5-9-26-58(50)70/h1-41H
InChIKeyWDTKQGYWDJMCGU-UHFFFAOYSA-N
XLogP18.02
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500956.12
LogP ≤ 518.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734786
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-(3-methylphenyl)-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 167260866
2-dibenzofuran-4-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002344
4,6-bis(3,5-diphenylphenyl)-2-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-ylpyrimidine;2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine;2-dibenzofuran-2-yl-4-dibenzofuran-4-yl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-4-yl-1,3,5-triazine
CID 162131728
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734906
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153368787
2-dibenzofuran-4-yl-4-phenyl-6-[8-[4-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199121
2-(4-dibenzofuran-4-ylphenyl)-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 147201996
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5c4oc4ccccc45)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc9c8-c8ccccc8C98c9ccccc9-c9ccccc98)cc7)cc6c45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is WDTKQGYWDJMCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H41N3O2/c1-2-15-42(16-3-1)43-33-37-46(38-34-43)67-71-68(73-69(72-67)55-24-12-22-52-51-19-7-11-29-61(51)75-66(52)55)54-23-14-30-63-65(54)56-41-47(39-40-62(56)74-63)44-31-35-45(36-32-44)48-21-13-28-60-64(48)53-20-6-10-27-59(53)70(60)57-25-8-4-17-49(57)50-18-5-9-26-58(50)70/h1-41H.
What are the key properties of 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 956.12 g/mol, XLogP of 18.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 153368965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).