2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine

C65H43N3S2 — CID 167197211

IUPAC2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine
SMILESC=Cc1sc2c(-c3nc(-c4ccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cc4)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)cccc2c1/C=C\C
InChIInChI=1S/C65H43N3S2/c1-3-18-48-50-27-16-29-53(61(50)70-57(48)4-2)64-67-62(42-35-33-41(34-36-42)43-19-15-20-44(39-43)45-37-38-59-54(40-45)49-25-12-14-32-58(49)69-59)66-63(68-64)52-28-17-31-56-60(52)51-26-11-13-30-55(51)65(56,46-21-7-5-8-22-46)47-23-9-6-10-24-47/h3-40H,2H2,1H3/b18-3-
InChIKeySPDORTJUZBHPQU-ZUWFHJRGSA-N
MW930.21 g/mol
LogP17.83
Rot. Bonds9

About 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine

2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine (PubChem CID 167197211) has the molecular formula C65H43N3S2 and a molecular weight of 930.21 g/mol. Its IUPAC name is 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine
PubChem CID167197211
Molecular FormulaC65H43N3S2
Molecular Weight930.21 g/mol
Exact Mass929.29
IUPAC Name2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine
SMILESC=Cc1sc2c(-c3nc(-c4ccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cc4)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)cccc2c1/C=C\C
InChIInChI=1S/C65H43N3S2/c1-3-18-48-50-27-16-29-53(61(50)70-57(48)4-2)64-67-62(42-35-33-41(34-36-42)43-19-15-20-44(39-43)45-37-38-59-54(40-45)49-25-12-14-32-58(49)69-59)66-63(68-64)52-28-17-31-56-60(52)51-26-11-13-30-55(51)65(56,46-21-7-5-8-22-46)47-23-9-6-10-24-47/h3-40H,2H2,1H3/b18-3-
InChIKeySPDORTJUZBHPQU-ZUWFHJRGSA-N
XLogP17.83
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500930.21
LogP ≤ 517.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine with MolForge

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Related Compounds

2-dibenzothiophen-4-yl-4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 163760786
2-dibenzothiophen-2-yl-4-(9,9-dimethylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 165095403
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-phenyl-1,3,5-triazine
CID 166024873
2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-phenyl-1,3,5-triazine;2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167570487
2-dibenzothiophen-2-yl-4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-2-yl-4-(9,9-diphenylfluoren-2-yl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 164955219
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
2-(3-dibenzofuran-2-yl-5-phenylphenyl)-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4-dibenzothiophen-4-yl-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine;2-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-1,3,5-triazine
CID 167673861
4-(3-dibenzothiophen-2-ylphenyl)-6-[4-(9,9-diphenylfluoren-4-yl)phenyl]-2-phenylpyrimidine
CID 171603742
2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-1,3,5-triazine
CID 166024950
2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 157398141
2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine
CID 167349621
2-(6-dibenzothiophen-2-yl-9,9-diphenylfluoren-4-yl)-4,6-diphenylpyrimidine
CID 118507891

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine?
The IUPAC name of 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine (CID 167197211) is 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine?
The canonical SMILES for 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine is C=Cc1sc2c(-c3nc(-c4ccc(-c5cccc(-c6ccc7sc8ccccc8c7c6)c5)cc4)nc(-c4cccc5c4-c4ccccc4C5(c4ccccc4)c4ccccc4)n3)cccc2c1/C=C\C.
What is the InChIKey of 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine?
The InChIKey is SPDORTJUZBHPQU-ZUWFHJRGSA-N. The full InChI is InChI=1S/C65H43N3S2/c1-3-18-48-50-27-16-29-53(61(50)70-57(48)4-2)64-67-62(42-35-33-41(34-36-42)43-19-15-20-44(39-43)45-37-38-59-54(40-45)49-25-12-14-32-58(49)69-59)66-63(68-64)52-28-17-31-56-60(52)51-26-11-13-30-55(51)65(56,46-21-7-5-8-22-46)47-23-9-6-10-24-47/h3-40H,2H2,1H3/b18-3-.
What are the key properties of 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine?
2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine has a molecular weight of 930.21 g/mol, XLogP of 17.83, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-dibenzothiophen-2-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzothiophen-7-yl]-1,3,5-triazine is sourced from PubChem (CID 167197211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).