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

C58H35N3S — CID 153369473

IUPAC2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6cccc(-c7cccc8c7C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6)cc5c34)n2)cc1
InChIInChI=1S/C58H35N3S/c1-3-16-36(17-4-1)55-59-56(37-18-5-2-6-19-37)61-57(60-55)46-27-15-31-52-53(46)47-35-39(32-33-51(47)62-52)38-20-13-21-40(34-38)41-25-14-26-45-44-24-9-12-30-50(44)58(54(41)45)48-28-10-7-22-42(48)43-23-8-11-29-49(43)58/h1-35H
InChIKeyXBVMSKXBOVNCKU-UHFFFAOYSA-N
MW806.01 g/mol
LogP14.92
Rot. Bonds5

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

2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 153369473) has the molecular formula C58H35N3S and a molecular weight of 806.01 g/mol. Its IUPAC name is 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID153369473
Molecular FormulaC58H35N3S
Molecular Weight806.01 g/mol
Exact Mass805.26
IUPAC Name2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6cccc(-c7cccc8c7C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6)cc5c34)n2)cc1
InChIInChI=1S/C58H35N3S/c1-3-16-36(17-4-1)55-59-56(37-18-5-2-6-19-37)61-57(60-55)46-27-15-31-52-53(46)47-35-39(32-33-51(47)62-52)38-20-13-21-40(34-38)41-25-14-26-45-44-24-9-12-30-50(44)58(54(41)45)48-28-10-7-22-42(48)43-23-8-11-29-49(43)58/h1-35H
InChIKeyXBVMSKXBOVNCKU-UHFFFAOYSA-N
XLogP14.92
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500806.01
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-[2-(9,9-diphenylfluoren-1-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002321
2,4-diphenyl-6-[8-(9,9'-spirobi[fluorene]-2-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 118507970
2,4-diphenyl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 156734871
2,4-diphenyl-6-[8-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 134199031
2-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153368858
2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002378
2-(8-phenyldibenzothiophen-1-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 174361298
2-dibenzothiophen-1-yl-4-phenyl-6-[8-(9,9'-spirobi[fluorene]-1'-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 156734731
2,4-diphenyl-6-[8-[3-(2-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[8-[4-[4-(4-phenylphenyl)phenyl]phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 159903091
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-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162487458

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine (CID 153369473) is 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5ccc(-c6cccc(-c7cccc8c7C7(c9ccccc9-c9ccccc97)c7ccccc7-8)c6)cc5c34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is XBVMSKXBOVNCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H35N3S/c1-3-16-36(17-4-1)55-59-56(37-18-5-2-6-19-37)61-57(60-55)46-27-15-31-52-53(46)47-35-39(32-33-51(47)62-52)38-20-13-21-40(34-38)41-25-14-26-45-44-24-9-12-30-50(44)58(54(41)45)48-28-10-7-22-42(48)43-23-8-11-29-49(43)58/h1-35H.
What are the key properties of 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 806.01 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[8-[3-(9,9'-spirobi[fluorene]-1'-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 153369473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).