2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine

C60H37N3OS2 — CID 166002362

IUPAC2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9sc%10ccccc%10c89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)c3)c21
InChIInChI=1S/C60H37N3OS2/c1-60(2)46-24-6-3-16-38(46)39-20-10-19-37(56(39)60)36-15-9-14-34(32-36)35-30-31-47-45(33-35)53-42(21-11-25-48(53)64-47)57-61-58(43-22-12-28-51-54(43)40-17-4-7-26-49(40)65-51)63-59(62-57)44-23-13-29-52-55(44)41-18-5-8-27-50(41)66-52/h3-33H,1-2H3
InChIKeyMHEJNZNLGGTBKA-UHFFFAOYSA-N
MW880.11 g/mol
LogP17.15
Rot. Bonds5

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

2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (PubChem CID 166002362) has the molecular formula C60H37N3OS2 and a molecular weight of 880.11 g/mol. Its IUPAC name is 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
PubChem CID166002362
Molecular FormulaC60H37N3OS2
Molecular Weight880.11 g/mol
Exact Mass879.24
IUPAC Name2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9sc%10ccccc%10c89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)c3)c21
InChIInChI=1S/C60H37N3OS2/c1-60(2)46-24-6-3-16-38(46)39-20-10-19-37(56(39)60)36-15-9-14-34(32-36)35-30-31-47-45(33-35)53-42(21-11-25-48(53)64-47)57-61-58(43-22-12-28-51-54(43)40-17-4-7-26-49(40)65-51)63-59(62-57)44-23-13-29-52-55(44)41-18-5-8-27-50(41)66-52/h3-33H,1-2H3
InChIKeyMHEJNZNLGGTBKA-UHFFFAOYSA-N
XLogP17.15
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500880.11
LogP ≤ 517.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002555
2-dibenzofuran-3-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002430
2-dibenzofuran-4-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 153369497
2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166003007
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-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369077
2-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369552
2-dibenzothiophen-1-yl-4-[8-[4-(9,9-dimethylfluoren-3-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369475
2-dibenzofuran-1-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002602
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-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734762
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine (CID 166002362) is 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3cccc(-c4ccc5oc6cccc(-c7nc(-c8cccc9sc%10ccccc%10c89)nc(-c8cccc9sc%10ccccc%10c89)n7)c6c5c4)c3)c21.
What is the InChIKey of 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
The InChIKey is MHEJNZNLGGTBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H37N3OS2/c1-60(2)46-24-6-3-16-38(46)39-20-10-19-37(56(39)60)36-15-9-14-34(32-36)35-30-31-47-45(33-35)53-42(21-11-25-48(53)64-47)57-61-58(43-22-12-28-51-54(43)40-17-4-7-26-49(40)65-51)63-59(62-57)44-23-13-29-52-55(44)41-18-5-8-27-50(41)66-52/h3-33H,1-2H3.
What are the key properties of 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine?
2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine has a molecular weight of 880.11 g/mol, XLogP of 17.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine is sourced from PubChem (CID 166002362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).