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

C54H35N3OS — CID 166003007

IUPAC2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c5c4)cc3)c21
InChIInChI=1S/C54H35N3OS/c1-54(2)44-19-8-6-14-38(44)40-17-10-16-37(50(40)54)33-24-22-32(23-25-33)35-26-28-45-43(30-35)49-41(18-11-20-46(49)58-45)53-56-51(34-12-4-3-5-13-34)55-52(57-53)36-27-29-48-42(31-36)39-15-7-9-21-47(39)59-48/h3-31H,1-2H3
InChIKeyMFIAPQYSSYTKDW-UHFFFAOYSA-N
MW773.96 g/mol
LogP14.78
Rot. Bonds5

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

2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (PubChem CID 166003007) has the molecular formula C54H35N3OS and a molecular weight of 773.96 g/mol. Its IUPAC name is 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
PubChem CID166003007
Molecular FormulaC54H35N3OS
Molecular Weight773.96 g/mol
Exact Mass773.25
IUPAC Name2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
SMILESCC1(C)c2ccccc2-c2cccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c5c4)cc3)c21
InChIInChI=1S/C54H35N3OS/c1-54(2)44-19-8-6-14-38(44)40-17-10-16-37(50(40)54)33-24-22-32(23-25-33)35-26-28-45-43(30-35)49-41(18-11-20-46(49)58-45)53-56-51(34-12-4-3-5-13-34)55-52(57-53)36-27-29-48-42(31-36)39-15-7-9-21-47(39)59-48/h3-31H,1-2H3
InChIKeyMFIAPQYSSYTKDW-UHFFFAOYSA-N
XLogP14.78
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.96
LogP ≤ 514.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-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-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-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 166002481
2-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166003177
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
2,4-di(dibenzothiophen-1-yl)-6-[8-[3-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002362
2-dibenzofuran-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-dibenzofuran-1-yl-4-dibenzothiophen-2-yl-6-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166003181
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine (CID 166003007) is 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is CC1(C)c2ccccc2-c2cccc(-c3ccc(-c4ccc5oc6cccc(-c7nc(-c8ccccc8)nc(-c8ccc9sc%10ccccc%10c9c8)n7)c6c5c4)cc3)c21.
What is the InChIKey of 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
The InChIKey is MFIAPQYSSYTKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3OS/c1-54(2)44-19-8-6-14-38(44)40-17-10-16-37(50(40)54)33-24-22-32(23-25-33)35-26-28-45-43(30-35)49-41(18-11-20-46(49)58-45)53-56-51(34-12-4-3-5-13-34)55-52(57-53)36-27-29-48-42(31-36)39-15-7-9-21-47(39)59-48/h3-31H,1-2H3.
What are the key properties of 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine?
2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine has a molecular weight of 773.96 g/mol, XLogP of 14.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-2-yl-4-[8-[4-(9,9-dimethylfluoren-1-yl)phenyl]dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 166003007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).