2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine

C64H41N3S — CID 167349621

IUPAC2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc5c4-c4ccc(-c6ccccc6)cc4C5(c4ccccc4)c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C64H41N3S/c1-5-19-42(20-6-1)44-35-37-45(38-36-44)49-27-13-14-29-52(49)61-65-62(67-63(66-61)55-32-17-30-51-50-28-15-16-34-58(50)68-60(51)55)54-31-18-33-56-59(54)53-40-39-46(43-21-7-2-8-22-43)41-57(53)64(56,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-41H
InChIKeyJXLZRFWXBBJUPF-UHFFFAOYSA-N
MW884.12 g/mol
LogP16.60
Rot. Bonds8

About 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine

2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine (PubChem CID 167349621) has the molecular formula C64H41N3S and a molecular weight of 884.12 g/mol. Its IUPAC name is 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine
PubChem CID167349621
Molecular FormulaC64H41N3S
Molecular Weight884.12 g/mol
Exact Mass883.30
IUPAC Name2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc5c4-c4ccc(-c6ccccc6)cc4C5(c4ccccc4)c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C64H41N3S/c1-5-19-42(20-6-1)44-35-37-45(38-36-44)49-27-13-14-29-52(49)61-65-62(67-63(66-61)55-32-17-30-51-50-28-15-16-34-58(50)68-60(51)55)54-31-18-33-56-59(54)53-40-39-46(43-21-7-2-8-22-43)41-57(53)64(56,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-41H
InChIKeyJXLZRFWXBBJUPF-UHFFFAOYSA-N
XLogP16.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500884.12
LogP ≤ 516.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzothiophen-4-yl-4-(9,9-diphenylfluoren-2-yl)-6-[2-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 146669934
2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(3-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine;2-(3-dibenzothiophen-4-ylphenyl)-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 167624285
2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(9,9-diphenylfluoren-4-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 167638600
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-(2-phenylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 166024922
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-[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-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-4-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine;2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(2-phenylphenyl)-1,3,5-triazine;2-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-1-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 167603616
4-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-4-yl)-2-phenylpyrimidine
CID 171603309
4-dibenzothiophen-4-yl-2-(9,9-diphenylfluoren-2-yl)-6-(2,4-diphenylphenyl)pyrimidine
CID 167348948
2,4-di(dibenzothiophen-4-yl)-6-(9,9-diphenylfluoren-4-yl)pyrimidine
CID 167349336
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine (CID 167349621) is 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine is c1ccc(-c2ccc(-c3ccccc3-c3nc(-c4cccc5c4-c4ccc(-c6ccccc6)cc4C5(c4ccccc4)c4ccccc4)nc(-c4cccc5c4sc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine?
The InChIKey is JXLZRFWXBBJUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H41N3S/c1-5-19-42(20-6-1)44-35-37-45(38-36-44)49-27-13-14-29-52(49)61-65-62(67-63(66-61)55-32-17-30-51-50-28-15-16-34-58(50)68-60(51)55)54-31-18-33-56-59(54)53-40-39-46(43-21-7-2-8-22-43)41-57(53)64(56,47-23-9-3-10-24-47)48-25-11-4-12-26-48/h1-41H.
What are the key properties of 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine?
2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine has a molecular weight of 884.12 g/mol, XLogP of 16.60, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-4-yl-4-[2-(4-phenylphenyl)phenyl]-6-(7,9,9-triphenylfluoren-4-yl)-1,3,5-triazine is sourced from PubChem (CID 167349621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).