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

C50H30N4S2 — CID 130263378

IUPAC2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccccc3-c3ccncc3)n2)cc1
InChIInChI=1S/C50H30N4S2/c1-2-12-32(13-3-1)48-52-49(54-50(53-48)43-17-5-4-14-36(43)31-24-26-51-27-25-31)35-29-33(37-18-10-20-41-39-15-6-8-22-44(39)55-46(37)41)28-34(30-35)38-19-11-21-42-40-16-7-9-23-45(40)56-47(38)42/h1-30H
InChIKeyXNGPUZNOHAJFCF-UHFFFAOYSA-N
MW750.95 g/mol
LogP14.00
Rot. Bonds6

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

2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine (PubChem CID 130263378) 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-(2-pyridin-4-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
PubChem CID130263378
Molecular FormulaC50H30N4S2
Molecular Weight750.95 g/mol
Exact Mass750.19
IUPAC Name2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccccc3-c3ccncc3)n2)cc1
InChIInChI=1S/C50H30N4S2/c1-2-12-32(13-3-1)48-52-49(54-50(53-48)43-17-5-4-14-36(43)31-24-26-51-27-25-31)35-29-33(37-18-10-20-41-39-15-6-8-22-44(39)55-46(37)41)28-34(30-35)38-19-11-21-42-40-16-7-9-23-45(40)56-47(38)42/h1-30H
InChIKeyXNGPUZNOHAJFCF-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

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

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Related Compounds

2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)-1,3,5-triazine
CID 130262627
4-[3-dibenzothiophen-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-4-ylpyrimidine
CID 171585253
4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenyl-2-pyridin-4-ylpyrimidine
CID 171585810
4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-pyridin-4-ylpyrimidine
CID 130465587
4-dibenzothiophen-4-yl-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine
CID 130262265
2-(3-dibenzothiophen-4-yl-5-naphthalen-2-ylphenyl)-4,6-bis(2-phenylphenyl)-1,3,5-triazine
CID 164942411
2-dibenzothiophen-4-yl-4-phenyl-6-[2-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155763972
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-naphthalen-1-ylphenyl)-2-phenyl-6-pyridin-4-ylpyrimidine
CID 171585375
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130261995
2-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-6-[3-[4-(4-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 142425260
2-(4-dibenzothiophen-4-ylphenyl)-4-(3-phenylphenyl)-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 168850283

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine (CID 130263378) is 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc(-c3ccccc3-c3ccncc3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?
The InChIKey is XNGPUZNOHAJFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S2/c1-2-12-32(13-3-1)48-52-49(54-50(53-48)43-17-5-4-14-36(43)31-24-26-51-27-25-31)35-29-33(37-18-10-20-41-39-15-6-8-22-44(39)55-46(37)41)28-34(30-35)38-19-11-21-42-40-16-7-9-23-45(40)56-47(38)42/h1-30H.
What are the key properties of 2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)-1,3,5-triazine?
2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-(2-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-(2-pyridin-4-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 130263378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).