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

C58H37N3S — CID 146581626

IUPAC2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5(c6ccc7c(c6)sc6ccccc67)c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C58H37N3S/c1-3-13-38(14-4-1)40-23-27-42(28-24-40)55-59-56(43-29-25-41(26-30-43)39-15-5-2-6-16-39)61-57(60-55)44-31-33-45(34-32-44)58(51-20-10-7-17-47(51)48-18-8-11-21-52(48)58)46-35-36-50-49-19-9-12-22-53(49)62-54(50)37-46/h1-37H
InChIKeyVMKQUSNANXIGEU-UHFFFAOYSA-N
MW808.02 g/mol
LogP14.94
Rot. Bonds7

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

2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (PubChem CID 146581626) has the molecular formula C58H37N3S and a molecular weight of 808.02 g/mol. Its IUPAC name is 2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
PubChem CID146581626
Molecular FormulaC58H37N3S
Molecular Weight808.02 g/mol
Exact Mass807.27
IUPAC Name2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5(c6ccc7c(c6)sc6ccccc67)c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1
InChIInChI=1S/C58H37N3S/c1-3-13-38(14-4-1)40-23-27-42(28-24-40)55-59-56(43-29-25-41(26-30-43)39-15-5-2-6-16-39)61-57(60-55)44-31-33-45(34-32-44)58(51-20-10-7-17-47(51)48-18-8-11-21-52(48)58)46-35-36-50-49-19-9-12-22-53(49)62-54(50)37-46/h1-37H
InChIKeyVMKQUSNANXIGEU-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-dibenzothiophen-3-yl-4-phenyl-6-[9-(4-phenylphenyl)fluoren-9-yl]-1,3,5-triazine
CID 164821165
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-[5-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]naphthalen-1-yl]-1,3,5-triazine
CID 162487380
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-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
2,4-diphenyl-6-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-1,3,5-triazine
CID 162487427
4-(4-dibenzothiophen-3-ylphenyl)-2-phenyl-6-[3-(9-phenylfluoren-9-yl)phenyl]pyrimidine
CID 171603562
4-dibenzothiophen-3-yl-6-[4-(9,9-diphenylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171602085
2-[8-[4-(9-dibenzothiophen-2-ylfluoren-9-yl)phenyl]dibenzofuran-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 146581921
3-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-1-phenylbenzo[f]quinazoline
CID 146581692
2-naphthalen-2-yl-4-phenyl-6-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]phenyl]-1,3,5-triazine
CID 162487301

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine (CID 146581626) is 2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccc(-c5ccccc5)cc4)nc(-c4ccc(C5(c6ccc7c(c6)sc6ccccc67)c6ccccc6-c6ccccc65)cc4)n3)cc2)cc1.
What is the InChIKey of 2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
The InChIKey is VMKQUSNANXIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N3S/c1-3-13-38(14-4-1)40-23-27-42(28-24-40)55-59-56(43-29-25-41(26-30-43)39-15-5-2-6-16-39)61-57(60-55)44-31-33-45(34-32-44)58(51-20-10-7-17-47(51)48-18-8-11-21-52(48)58)46-35-36-50-49-19-9-12-22-53(49)62-54(50)37-46/h1-37H.
What are the key properties of 2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine?
2-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(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-[4-(9-dibenzothiophen-3-ylfluoren-9-yl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 146581626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).