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

C50H30N4S2 — CID 130262627

IUPAC2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C50H30N4S2/c1-2-11-32(12-3-1)48-52-49(34-14-8-13-33(27-34)31-23-25-51-26-24-31)54-50(53-48)37-29-35(38-17-9-19-42-40-15-4-6-21-44(40)55-46(38)42)28-36(30-37)39-18-10-20-43-41-16-5-7-22-45(41)56-47(39)43/h1-30H
InChIKeyHXYZBYFHENXZPE-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.00
Rot. Bonds6

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

2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 130262627) has the molecular formula C50H30N4S2 and a molecular weight of 750.95 g/mol. Its IUPAC name is 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID130262627
Molecular FormulaC50H30N4S2
Molecular Weight750.95 g/mol
Exact Mass750.19
IUPAC Name2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1
InChIInChI=1S/C50H30N4S2/c1-2-11-32(12-3-1)48-52-49(34-14-8-13-33(27-34)31-23-25-51-26-24-31)54-50(53-48)37-29-35(38-17-9-19-42-40-15-4-6-21-44(40)55-46(38)42)28-36(30-37)39-18-10-20-43-41-16-5-7-22-45(41)56-47(39)43/h1-30H
InChIKeyHXYZBYFHENXZPE-UHFFFAOYSA-N
XLogP14.00
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500750.95
LogP ≤ 514.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130263378
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 171585810
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425247
4-[3-dibenzothiophen-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 171585253
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261995
4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 130465587
2-(3-dibenzothiophen-2-yl-5-dibenzothiophen-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171402536
4-(3-dibenzothiophen-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 171585375
2-chloro-4-(4-dibenzothiophen-4-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 156828340
2-[3-(8-dibenzothiophen-2-yldibenzothiophen-4-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 122679618

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine (CID 130262627) is 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cccc(-c4ccncc4)c3)nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is HXYZBYFHENXZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S2/c1-2-11-32(12-3-1)48-52-49(34-14-8-13-33(27-34)31-23-25-51-26-24-31)54-50(53-48)37-29-35(38-17-9-19-42-40-15-4-6-21-44(40)55-46(38)42)28-36(30-37)39-18-10-20-43-41-16-5-7-22-45(41)56-47(39)43/h1-30H.
What are the key properties of 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine?
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine has a molecular weight of 750.95 g/mol, XLogP of 14.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130262627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).