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

C58H37N3S — CID 162487458

IUPAC2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)cc2)cc1
InChIInChI=1S/C58H37N3S/c1-4-16-38(17-5-1)40-30-32-41(33-31-40)55-59-56(43-21-14-20-42(36-43)39-18-6-2-7-19-39)61-57(60-55)48-26-15-29-53-54(48)49-37-45(34-35-52(49)62-53)58(44-22-8-3-9-23-44)50-27-12-10-24-46(50)47-25-11-13-28-51(47)58/h1-37H
InChIKeyXYSHJMLUGGTLKP-UHFFFAOYSA-N
MW808.02 g/mol
LogP14.94
Rot. Bonds7

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

2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (PubChem CID 162487458) has the molecular formula C58H37N3S and a molecular weight of 808.02 g/mol. Its IUPAC name is 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
PubChem CID162487458
Molecular FormulaC58H37N3S
Molecular Weight808.02 g/mol
Exact Mass807.27
IUPAC Name2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)cc2)cc1
InChIInChI=1S/C58H37N3S/c1-4-16-38(17-5-1)40-30-32-41(33-31-40)55-59-56(43-21-14-20-42(36-43)39-18-6-2-7-19-39)61-57(60-55)48-26-15-29-53-54(48)49-37-45(34-35-52(49)62-53)58(44-22-8-3-9-23-44)50-27-12-10-24-46(50)47-25-11-13-28-51(47)58/h1-37H
InChIKeyXYSHJMLUGGTLKP-UHFFFAOYSA-N
XLogP14.94
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.02
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(8-phenyldibenzothiophen-1-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 174361298
2-[8-[4-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 153368858
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-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-1,3,5-triazine;2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 163568534
2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361294
2-[8-[2-(9,9-diphenylfluoren-2-yl)phenyl]dibenzothiophen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 166002378
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-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 162487427
2,4-diphenyl-6-[8-[4-(9,9'-spirobi[fluorene]-3-yl)phenyl]dibenzothiophen-1-yl]-1,3,5-triazine
CID 156734871
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-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine (CID 162487458) is 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4cccc(-c5ccccc5)c4)nc(-c4cccc5sc6ccc(C7(c8ccccc8)c8ccccc8-c8ccccc87)cc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is XYSHJMLUGGTLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S/c1-4-16-38(17-5-1)40-30-32-41(33-31-40)55-59-56(43-21-14-20-42(36-43)39-18-6-2-7-19-39)61-57(60-55)48-26-15-29-53-54(48)49-37-45(34-35-52(49)62-53)58(44-22-8-3-9-23-44)50-27-12-10-24-46(50)47-25-11-13-28-51(47)58/h1-37H.
What are the key properties of 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine?
2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine has a molecular weight of 808.02 g/mol, XLogP of 14.94, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 162487458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).