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

C58H37N3S — CID 146581823

IUPAC2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc(C6(c7ccc8sc9ccccc9c8c7)c7ccccc7-c7ccccc76)cc5)c4)cc3)n2)cc1
InChIInChI=1S/C58H37N3S/c1-3-14-40(15-4-1)55-59-56(41-16-5-2-6-17-41)61-57(60-55)42-28-26-38(27-29-42)43-18-13-19-44(36-43)39-30-32-45(33-31-39)58(51-23-10-7-20-47(51)48-21-8-11-24-52(48)58)46-34-35-54-50(37-46)49-22-9-12-25-53(49)62-54/h1-37H
InChIKeyWZGXWSKJQAQICI-UHFFFAOYSA-N
MW808.02 g/mol
LogP14.94
Rot. Bonds7

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

2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 146581823) has the molecular formula C58H37N3S and a molecular weight of 808.02 g/mol. Its IUPAC name is 2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
PubChem CID146581823
Molecular FormulaC58H37N3S
Molecular Weight808.02 g/mol
Exact Mass807.27
IUPAC Name2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc(C6(c7ccc8sc9ccccc9c8c7)c7ccccc7-c7ccccc76)cc5)c4)cc3)n2)cc1
InChIInChI=1S/C58H37N3S/c1-3-14-40(15-4-1)55-59-56(41-16-5-2-6-17-41)61-57(60-55)42-28-26-38(27-29-42)43-18-13-19-44(36-43)39-30-32-45(33-31-39)58(51-23-10-7-20-47(51)48-21-8-11-24-52(48)58)46-34-35-54-50(37-46)49-22-9-12-25-53(49)62-54/h1-37H
InChIKeyWZGXWSKJQAQICI-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

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Related Compounds

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-[8-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 146581921
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 162487458
4-dibenzothiophen-2-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603110
2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487268
2-(8-phenyldibenzothiophen-1-yl)-4-[3-(9-phenylfluoren-9-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 174361298
2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 166024935
2,4-diphenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-naphthalen-2-yl-4-phenyl-6-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]phenyl]-1,3,5-triazine;2-[2-[2-[8-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163509066
2-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821165
4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603562
4-[3-(2-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601971

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine (CID 146581823) is 2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc(-c5ccc(C6(c7ccc8sc9ccccc9c8c7)c7ccccc7-c7ccccc76)cc5)c4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is WZGXWSKJQAQICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S/c1-3-14-40(15-4-1)55-59-56(41-16-5-2-6-17-41)61-57(60-55)42-28-26-38(27-29-42)43-18-13-19-44(36-43)39-30-32-45(33-31-39)58(51-23-10-7-20-47(51)48-21-8-11-24-52(48)58)46-34-35-54-50(37-46)49-22-9-12-25-53(49)62-54/h1-37H.
What are the key properties of 2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine?
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-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-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 146581823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).