2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

C62H39N3S — CID 166024935

IUPAC2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc32)cc1
InChIInChI=1S/C62H39N3S/c1-3-16-47(17-4-1)62(48-18-5-2-6-19-48)55-24-11-9-21-51(55)52-36-34-46(39-56(52)62)61-64-59(43-30-26-40(27-31-43)45-35-37-58-54(38-45)53-22-10-12-25-57(53)66-58)63-60(65-61)44-32-28-42(29-33-44)50-23-13-15-41-14-7-8-20-49(41)50/h1-39H
InChIKeyNDJQTOSGYBRYIE-UHFFFAOYSA-N
MW858.08 g/mol
LogP16.09
Rot. Bonds7

About 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine

2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (PubChem CID 166024935) has the molecular formula C62H39N3S and a molecular weight of 858.08 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
PubChem CID166024935
Molecular FormulaC62H39N3S
Molecular Weight858.08 g/mol
Exact Mass857.29
IUPAC Name2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc32)cc1
InChIInChI=1S/C62H39N3S/c1-3-16-47(17-4-1)62(48-18-5-2-6-19-48)55-24-11-9-21-51(55)52-36-34-46(39-56(52)62)61-64-59(43-30-26-40(27-31-43)45-35-37-58-54(38-45)53-22-10-12-25-57(53)66-58)63-60(65-61)44-32-28-42(29-33-44)50-23-13-15-41-14-7-8-20-49(41)50/h1-39H
InChIKeyNDJQTOSGYBRYIE-UHFFFAOYSA-N
XLogP16.09
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.08
LogP ≤ 516.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171585799
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
4-(4-dibenzothiophen-2-ylphenyl)-6-[2-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603115
4-[3-(2-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171601971
4-[2-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-(9,9-diphenylfluoren-2-yl)-2-phenylpyrimidine
CID 171602842
2-naphthalen-1-yl-4-(8-phenyldibenzothiophen-1-yl)-6-[3-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 174361294
4-(2-dibenzothiophen-2-ylphenyl)-6-[3-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171603972
2-[4-[3-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146581823
2-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-4-(9,9-diphenylfluoren-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 166024839
4-dibenzothiophen-2-yl-2-phenyl-6-[3-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]pyrimidine
CID 171603110
2-dibenzothiophen-2-yl-4-phenyl-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-(9,9,10,10-tetraphenylphenanthren-2-yl)-1,3,5-triazine
CID 163654261

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine (CID 166024935) is 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc(-c5ccc(-c6cccc7ccccc67)cc5)n4)cc32)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
The InChIKey is NDJQTOSGYBRYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H39N3S/c1-3-16-47(17-4-1)62(48-18-5-2-6-19-48)55-24-11-9-21-51(55)52-36-34-46(39-56(52)62)61-64-59(43-30-26-40(27-31-43)45-35-37-58-54(38-45)53-22-10-12-25-57(53)66-58)63-60(65-61)44-32-28-42(29-33-44)50-23-13-15-41-14-7-8-20-49(41)50/h1-39H.
What are the key properties of 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine?
2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine has a molecular weight of 858.08 g/mol, XLogP of 16.09, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-2-ylphenyl)-4-(9,9-diphenylfluoren-2-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 166024935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).