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

C58H33N3OS — CID 156734731

IUPAC2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C58H33N3OS/c1-2-15-34(16-3-1)55-59-56(61-57(60-55)43-24-14-30-51-53(43)41-20-7-11-29-50(41)63-51)42-23-13-28-49-52(42)44-33-35(31-32-48(44)62-49)36-21-12-22-40-39-19-6-10-27-47(39)58(54(36)40)45-25-8-4-17-37(45)38-18-5-9-26-46(38)58/h1-33H
InChIKeyWJILODCJXDKQBM-UHFFFAOYSA-N
MW819.99 g/mol
LogP15.15
Rot. Bonds4

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

2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 156734731) has the molecular formula C58H33N3OS and a molecular weight of 819.99 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID156734731
Molecular FormulaC58H33N3OS
Molecular Weight819.99 g/mol
Exact Mass819.23
IUPAC Name2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc4oc5ccc(-c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1
InChIInChI=1S/C58H33N3OS/c1-2-15-34(16-3-1)55-59-56(61-57(60-55)43-24-14-30-51-53(43)41-20-7-11-29-50(41)63-51)42-23-13-28-49-52(42)44-33-35(31-32-48(44)62-49)36-21-12-22-40-39-19-6-10-27-47(39)58(54(36)40)45-25-8-4-17-37(45)38-18-5-9-26-46(38)58/h1-33H
InChIKeyWJILODCJXDKQBM-UHFFFAOYSA-N
XLogP15.15
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500819.99
LogP ≤ 515.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-dibenzothiophen-2-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166002402
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002766
2-dibenzothiophen-2-yl-4-(4-phenylphenyl)-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369774
2-dibenzothiophen-2-yl-4-phenyl-6-[8-[4-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002314
2-dibenzothiophen-1-yl-4-dibenzothiophen-4-yl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166002727
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-(8-dibenzofuran-1-yldibenzofuran-1-yl)-4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazine
CID 166742090
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-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734762
2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002362
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-(9,9'-spirobi[fluorene]-4'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 156734870

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine (CID 156734731) is 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3cccc4oc5ccc(-c6cccc7c6C6(c8ccccc8-c8ccccc86)c6ccccc6-7)cc5c34)nc(-c3cccc4sc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is WJILODCJXDKQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H33N3OS/c1-2-15-34(16-3-1)55-59-56(61-57(60-55)43-24-14-30-51-53(43)41-20-7-11-29-50(41)63-51)42-23-13-28-49-52(42)44-33-35(31-32-48(44)62-49)36-21-12-22-40-39-19-6-10-27-47(39)58(54(36)40)45-25-8-4-17-37(45)38-18-5-9-26-46(38)58/h1-33H.
What are the key properties of 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 819.99 g/mol, XLogP of 15.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 156734731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).