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

C70H43N3OS — CID 153369515

IUPAC2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccc(-c7cccc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)c7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C70H43N3OS/c1-4-18-44(19-5-1)45-36-38-46(39-37-45)67-71-68(73-69(72-67)56-30-17-35-63-66(56)54-27-11-13-34-62(54)75-63)55-29-16-33-61-65(55)57-43-48(40-41-60(57)74-61)47-20-14-21-49(42-47)52-28-15-32-59-64(52)53-26-10-12-31-58(53)70(59,50-22-6-2-7-23-50)51-24-8-3-9-25-51/h1-43H
InChIKeyIMJVMNGMQMBLOZ-UHFFFAOYSA-N
MW974.20 g/mol
LogP18.50
Rot. Bonds8

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

2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 153369515) has the molecular formula C70H43N3OS and a molecular weight of 974.20 g/mol. Its IUPAC name is 2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID153369515
Molecular FormulaC70H43N3OS
Molecular Weight974.20 g/mol
Exact Mass973.31
IUPAC Name2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccc(-c7cccc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)c7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C70H43N3OS/c1-4-18-44(19-5-1)45-36-38-46(39-37-45)67-71-68(73-69(72-67)56-30-17-35-63-66(56)54-27-11-13-34-62(54)75-63)55-29-16-33-61-65(55)57-43-48(40-41-60(57)74-61)47-20-14-21-49(42-47)52-28-15-32-59-64(52)53-26-10-12-31-58(53)70(59,50-22-6-2-7-23-50)51-24-8-3-9-25-51/h1-43H
InChIKeyIMJVMNGMQMBLOZ-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-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-dibenzothiophen-3-yl-4-[8-[4-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166003111
2-dibenzothiophen-3-yl-4-[8-(9,9-diphenylfluoren-4-yl)dibenzofuran-1-yl]-6-phenyl-1,3,5-triazine
CID 166002399
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
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 156734754
2,4-di(dibenzofuran-1-yl)-6-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002837
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
2-[8-[11-(9,9-diphenylfluoren-4-yl)triphenylen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153369287
2,4-di(dibenzothiophen-1-yl)-6-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 166002565
2-[8-[6-(9,9-diphenylfluoren-4-yl)naphthalen-2-yl]dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002904
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

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 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) is 2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc5oc6ccc(-c7cccc(-c8cccc9c8-c8ccccc8C9(c8ccccc8)c8ccccc8)c7)cc6c45)nc(-c4cccc5sc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is IMJVMNGMQMBLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H43N3OS/c1-4-18-44(19-5-1)45-36-38-46(39-37-45)67-71-68(73-69(72-67)56-30-17-35-63-66(56)54-27-11-13-34-62(54)75-63)55-29-16-33-61-65(55)57-43-48(40-41-60(57)74-61)47-20-14-21-49(42-47)52-28-15-32-59-64(52)53-26-10-12-31-58(53)70(59,50-22-6-2-7-23-50)51-24-8-3-9-25-51/h1-43H.
What are the key properties of 2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine?
2-dibenzothiophen-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-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-1-yl-4-[8-[3-(9,9-diphenylfluoren-4-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153369515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).