2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine

C46H29N3S — CID 162487427

IUPAC2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)n2)cc1
InChIInChI=1S/C46H29N3S/c1-4-15-30(16-5-1)43-47-44(31-17-6-2-7-18-31)49-45(48-43)37-23-14-26-40-42(37)36-28-27-33(29-41(36)50-40)46(32-19-8-3-9-20-32)38-24-12-10-21-34(38)35-22-11-13-25-39(35)46/h1-29H
InChIKeyKFUZXJIRZMWENX-UHFFFAOYSA-N
MW655.83 g/mol
LogP11.60
Rot. Bonds5

About 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine

2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine (PubChem CID 162487427) has the molecular formula C46H29N3S and a molecular weight of 655.83 g/mol. Its IUPAC name is 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine
PubChem CID162487427
Molecular FormulaC46H29N3S
Molecular Weight655.83 g/mol
Exact Mass655.21
IUPAC Name2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)n2)cc1
InChIInChI=1S/C46H29N3S/c1-4-15-30(16-5-1)43-47-44(31-17-6-2-7-18-31)49-45(48-43)37-23-14-26-40-42(37)36-28-27-33(29-41(36)50-40)46(32-19-8-3-9-20-32)38-24-12-10-21-34(38)35-22-11-13-25-39(35)46/h1-29H
InChIKeyKFUZXJIRZMWENX-UHFFFAOYSA-N
XLogP11.60
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500655.83
LogP ≤ 511.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7,7-diphenylfluoreno[2,3-b][1]benzothiol-1-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 163680358
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487380
2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162487458
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[8-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 163984929
2-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153368858
2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002378
2-(8-phenyldibenzothiophen-1-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 174361298
2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
CID 162487301
7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 163485667
2-[8-[2-(9,9-diphenylfluoren-1-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002321
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487268

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine (CID 162487427) is 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4sc5cc(C6(c7ccccc7)c7ccccc7-c7ccccc76)ccc5c34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine?
The InChIKey is KFUZXJIRZMWENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H29N3S/c1-4-15-30(16-5-1)43-47-44(31-17-6-2-7-18-31)49-45(48-43)37-23-14-26-40-42(37)36-28-27-33(29-41(36)50-40)46(32-19-8-3-9-20-32)38-24-12-10-21-34(38)35-22-11-13-25-39(35)46/h1-29H.
What are the key properties of 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine has a molecular weight of 655.83 g/mol, XLogP of 11.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 162487427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).