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

C70H43N3OS — CID 166003111

IUPAC2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)cc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C70H43N3OS/c1-4-17-44(18-5-1)47-19-14-20-49(41-47)67-71-68(50-37-39-55-54-25-11-13-32-63(54)75-64(55)43-50)73-69(72-67)57-28-16-31-62-66(57)58-42-48(38-40-61(58)74-62)45-33-35-46(36-34-45)53-27-15-30-60-65(53)56-26-10-12-29-59(56)70(60,51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-43H
InChIKeyXNDMEFZBXNIWFI-UHFFFAOYSA-N
MW974.20 g/mol
LogP18.50
Rot. Bonds8

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

2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (PubChem CID 166003111) has the molecular formula C70H43N3OS and a molecular weight of 974.20 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
PubChem CID166003111
Molecular FormulaC70H43N3OS
Molecular Weight974.20 g/mol
Exact Mass973.31
IUPAC Name2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)cc7)cc6c45)n3)c2)cc1
InChIInChI=1S/C70H43N3OS/c1-4-17-44(18-5-1)47-19-14-20-49(41-47)67-71-68(50-37-39-55-54-25-11-13-32-63(54)75-64(55)43-50)73-69(72-67)57-28-16-31-62-66(57)58-42-48(38-40-61(58)74-62)45-33-35-46(36-34-45)53-27-15-30-60-65(53)56-26-10-12-29-59(56)70(60,51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-43H
InChIKeyXNDMEFZBXNIWFI-UHFFFAOYSA-N
XLogP18.50
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500974.20
LogP ≤ 518.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399
2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 153369515
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734636
2-dibenzofuran-2-yl-4-dibenzothiophen-1-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002387
2-dibenzofuran-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153368812
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166002825
2-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 153368921
2-dibenzothiophen-1-yl-4-dibenzothiophen-3-yl-6-[8-(9,9-diphenylfluoren-2-yl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153369668
2-dibenzofuran-4-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369192
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734754
2-dibenzofuran-1-yl-4-dibenzofuran-2-yl-6-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002661
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine (CID 166003111) is 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)nc(-c4cccc5oc6ccc(-c7ccc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)cc7)cc6c45)n3)c2)cc1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
The InChIKey is XNDMEFZBXNIWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N3OS/c1-4-17-44(18-5-1)47-19-14-20-49(41-47)67-71-68(50-37-39-55-54-25-11-13-32-63(54)75-64(55)43-50)73-69(72-67)57-28-16-31-62-66(57)58-42-48(38-40-61(58)74-62)45-33-35-46(36-34-45)53-27-15-30-60-65(53)56-26-10-12-29-59(56)70(60,51-21-6-2-7-22-51)52-23-8-3-9-24-52/h1-43H.
What are the key properties of 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine has a molecular weight of 974.20 g/mol, XLogP of 18.50, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166003111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).