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

C56H35N3S — CID 162487380

IUPAC2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5ccc6c(c5)sc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)cccc34)n2)cc1
InChIInChI=1S/C56H35N3S/c1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)48-27-15-25-42-41(24-14-26-43(42)48)38-30-32-46-47-33-31-40(35-52(47)60-51(46)34-38)56(39-20-8-3-9-21-39)49-28-12-10-22-44(49)45-23-11-13-29-50(45)56/h1-35H
InChIKeyKAGUUIBLMFMXBZ-UHFFFAOYSA-N
MW781.98 g/mol
LogP14.42
Rot. Bonds6

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

2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine (PubChem CID 162487380) has the molecular formula C56H35N3S and a molecular weight of 781.98 g/mol. Its IUPAC name is 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
PubChem CID162487380
Molecular FormulaC56H35N3S
Molecular Weight781.98 g/mol
Exact Mass781.26
IUPAC Name2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5ccc6c(c5)sc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)cccc34)n2)cc1
InChIInChI=1S/C56H35N3S/c1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)48-27-15-25-42-41(24-14-26-43(42)48)38-30-32-46-47-33-31-40(35-52(47)60-51(46)34-38)56(39-20-8-3-9-21-39)49-28-12-10-22-44(49)45-23-11-13-29-50(45)56/h1-35H
InChIKeyKAGUUIBLMFMXBZ-UHFFFAOYSA-N
XLogP14.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.98
LogP ≤ 514.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-diphenyl-6-[5-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487268
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 146581626
2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 162487427
2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
CID 162487301
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzofuran-2-yl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 163788832
2-dibenzothiophen-3-yl-4-phenyl-6-(9-phenylfluoren-9-yl)-1,3,5-triazine
CID 164821280
2-chloro-4-dibenzothiophen-3-yl-6-[4-(9-phenylfluoren-9-yl)phenyl]-1,3,5-triazine
CID 170305782
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
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-[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
3-[3-naphthalen-2-yl-5-(4-naphthalen-2-ylphenyl)phenyl]-7-(9-phenylfluoren-9-yl)dibenzofuran;3-(3-naphthalen-2-yl-5-phenylphenyl)-7-(9-phenylfluoren-9-yl)dibenzofuran;2-[2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-4-(3-phenylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 163668623

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine (CID 162487380) is 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c(-c5ccc6c(c5)sc5cc(C7(c8ccccc8)c8ccccc8-c8ccccc87)ccc56)cccc34)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine?
The InChIKey is KAGUUIBLMFMXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H35N3S/c1-4-16-36(17-5-1)53-57-54(37-18-6-2-7-19-37)59-55(58-53)48-27-15-25-42-41(24-14-26-43(42)48)38-30-32-46-47-33-31-40(35-52(47)60-51(46)34-38)56(39-20-8-3-9-21-39)49-28-12-10-22-44(49)45-23-11-13-29-50(45)56/h1-35H.
What are the key properties of 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine?
2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine has a molecular weight of 781.98 g/mol, XLogP of 14.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine is sourced from PubChem (CID 162487380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).