2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

C56H32N4O2S — CID 153466134

IUPAC2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)c1
InChIInChI=1S/C56H32N4O2S/c1-4-18-48-42(11-1)46-16-7-14-40(52(46)61-48)37-28-38(41-15-8-17-47-43-12-2-5-19-49(43)62-53(41)47)30-39(29-37)56-59-54(34-23-21-33(22-24-34)36-10-9-27-57-32-36)58-55(60-56)35-25-26-45-44-13-3-6-20-50(44)63-51(45)31-35/h1-32H
InChIKeyFGRQFCHBWRJOEQ-UHFFFAOYSA-N
MW824.97 g/mol
LogP15.44
Rot. Bonds6

About 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine

2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 153466134) has the molecular formula C56H32N4O2S and a molecular weight of 824.97 g/mol. Its IUPAC name is 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID153466134
Molecular FormulaC56H32N4O2S
Molecular Weight824.97 g/mol
Exact Mass824.22
IUPAC Name2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1cncc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)c1
InChIInChI=1S/C56H32N4O2S/c1-4-18-48-42(11-1)46-16-7-14-40(52(46)61-48)37-28-38(41-15-8-17-47-43-12-2-5-19-49(43)62-53(41)47)30-39(29-37)56-59-54(34-23-21-33(22-24-34)36-10-9-27-57-32-36)58-55(60-56)35-25-26-45-44-13-3-6-20-50(44)63-51(45)31-35/h1-32H
InChIKeyFGRQFCHBWRJOEQ-UHFFFAOYSA-N
XLogP15.44
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.97
LogP ≤ 515.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 163806979
2-(6-dibenzofuran-4-yldibenzofuran-4-yl)-4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazine
CID 154949233
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;2-(3-dibenzofuran-3-ylphenyl)-4-(4-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;4-(4-dibenzofuran-3-ylphenyl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine;2-(3-dibenzothiophen-3-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-(6-phenyldibenzofuran-3-yl)-1,3,5-triazine;2-phenyl-4,6-bis(6-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 157115619
2-dibenzofuran-3-yl-4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155077970
2-dibenzothiophen-3-yl-4-[3-(9-phenyldibenzofuran-4-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850189
2-dibenzofuran-3-yl-4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155078918
2-[3,5-di(anthracen-1-yl)phenyl]-4-dibenzofuran-4-yl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 153466365
2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078403
2-[3-(9-dibenzofuran-4-yldibenzothiophen-3-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 155377179
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155078938
2-[3,5-di(dibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263357
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130261983

Frequently Asked Questions

What is the IUPAC name of 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine (CID 153466134) is 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is c1cncc(-c2ccc(-c3nc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccc5c(c4)sc4ccccc45)n3)cc2)c1.
What is the InChIKey of 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is FGRQFCHBWRJOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H32N4O2S/c1-4-18-48-42(11-1)46-16-7-14-40(52(46)61-48)37-28-38(41-15-8-17-47-43-12-2-5-19-49(43)62-53(41)47)30-39(29-37)56-59-54(34-23-21-33(22-24-34)36-10-9-27-57-32-36)58-55(60-56)35-25-26-45-44-13-3-6-20-50(44)63-51(45)31-35/h1-32H.
What are the key properties of 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine?
2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 824.97 g/mol, XLogP of 15.44, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzothiophen-3-yl-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 153466134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).