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

C70H39N3O2S — CID 153369212

IUPAC2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3oc4cccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7sc8ccccc8c67)n5)c4c3c2)c1
InChIInChI=1S/C70H39N3O2S/c1-6-26-55-44(17-1)45-18-2-7-27-56(45)70(55)57-28-8-3-19-46(57)53-38-42(33-35-58(53)70)40-15-11-16-41(37-40)43-34-36-60-54(39-43)64-50(23-13-30-61(64)74-60)67-71-68(51-24-14-32-63-65(51)49-21-5-10-31-62(49)76-63)73-69(72-67)52-25-12-22-48-47-20-4-9-29-59(47)75-66(48)52/h1-39H
InChIKeyUKUJIYPRUOTWKQ-UHFFFAOYSA-N
MW986.17 g/mol
LogP18.72
Rot. Bonds5

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

2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 153369212) has the molecular formula C70H39N3O2S and a molecular weight of 986.17 g/mol. Its IUPAC name is 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID153369212
Molecular FormulaC70H39N3O2S
Molecular Weight986.17 g/mol
Exact Mass985.28
IUPAC Name2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3oc4cccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7sc8ccccc8c67)n5)c4c3c2)c1
InChIInChI=1S/C70H39N3O2S/c1-6-26-55-44(17-1)45-18-2-7-27-56(45)70(55)57-28-8-3-19-46(57)53-38-42(33-35-58(53)70)40-15-11-16-41(37-40)43-34-36-60-54(39-43)64-50(23-13-30-61(64)74-60)67-71-68(51-24-14-32-63-65(51)49-21-5-10-31-62(49)76-63)73-69(72-67)52-25-12-22-48-47-20-4-9-29-59(47)75-66(48)52/h1-39H
InChIKeyUKUJIYPRUOTWKQ-UHFFFAOYSA-N
XLogP18.72
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms76
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500986.17
LogP ≤ 518.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzothiophen-1-yl-4-(3-phenylphenyl)-6-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003018
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369265
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734840
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-3-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003122
2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734762
2-dibenzothiophen-2-yl-4-(3-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734693
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-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734654
2-dibenzothiophen-1-yl-4-(2-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734614
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734860
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166003162
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003028

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 153369212) is 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is c1cc(-c2ccc3c(c2)-c2ccccc2C32c3ccccc3-c3ccccc32)cc(-c2ccc3oc4cccc(-c5nc(-c6cccc7c6oc6ccccc67)nc(-c6cccc7sc8ccccc8c67)n5)c4c3c2)c1.
What is the InChIKey of 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is UKUJIYPRUOTWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H39N3O2S/c1-6-26-55-44(17-1)45-18-2-7-27-56(45)70(55)57-28-8-3-19-46(57)53-38-42(33-35-58(53)70)40-15-11-16-41(37-40)43-34-36-60-54(39-43)64-50(23-13-30-61(64)74-60)67-71-68(51-24-14-32-63-65(51)49-21-5-10-31-62(49)76-63)73-69(72-67)52-25-12-22-48-47-20-4-9-29-59(47)75-66(48)52/h1-39H.
What are the key properties of 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 986.17 g/mol, XLogP of 18.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 153369212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).