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

C148H88N14S6 — CID 160780549

IUPAC2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncn4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cncnc4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C50H30N4S2.2C49H29N5S2/c1-2-11-31(12-3-1)48-52-49(54-50(53-48)41-17-5-4-14-38(41)34-13-10-24-51-30-34)37-26-35(32-20-22-46-42(28-32)39-15-6-8-18-44(39)55-46)25-36(27-37)33-21-23-47-43(29-33)40-16-7-9-19-45(40)56-47;1-2-8-31(9-3-1)47-52-48(32-16-14-30(15-17-32)38-27-50-29-51-28-38)54-49(53-47)37-23-35(33-18-20-45-41(25-33)39-10-4-6-12-43(39)55-45)22-36(24-37)34-19-21-46-42(26-34)40-11-5-7-13-44(40)56-46;1-2-8-31(9-3-1)47-52-48(32-16-14-30(15-17-32)42-22-23-50-29-51-42)54-49(53-47)37-25-35(33-18-20-45-40(27-33)38-10-4-6-12-43(38)55-45)24-36(26-37)34-19-21-46-41(28-34)39-11-5-7-13-44(39)56-46/h1-30H;2*1-29H
InChIKeySANCFDYKUVGDMC-UHFFFAOYSA-N
MW2254.83 g/mol
LogP40.80
Rot. Bonds18

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

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine (PubChem CID 160780549) has the molecular formula C148H88N14S6 and a molecular weight of 2254.83 g/mol. Its IUPAC name is 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
PubChem CID160780549
Molecular FormulaC148H88N14S6
Molecular Weight2254.83 g/mol
Exact Mass2252.56
IUPAC Name2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncn4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cncnc4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C50H30N4S2.2C49H29N5S2/c1-2-11-31(12-3-1)48-52-49(54-50(53-48)41-17-5-4-14-38(41)34-13-10-24-51-30-34)37-26-35(32-20-22-46-42(28-32)39-15-6-8-18-44(39)55-46)25-36(27-37)33-21-23-47-43(29-33)40-16-7-9-19-45(40)56-47;1-2-8-31(9-3-1)47-52-48(32-16-14-30(15-17-32)38-27-50-29-51-28-38)54-49(53-47)37-23-35(33-18-20-45-41(25-33)39-10-4-6-12-43(39)55-45)22-36(24-37)34-19-21-46-42(26-34)40-11-5-7-13-44(40)56-46;1-2-8-31(9-3-1)47-52-48(32-16-14-30(15-17-32)42-22-23-50-29-51-42)54-49(53-47)37-25-35(33-18-20-45-40(27-33)38-10-4-6-12-43(38)55-45)24-36(26-37)34-19-21-46-41(28-34)39-11-5-7-13-44(39)56-46/h1-30H;2*1-29H
InChIKeySANCFDYKUVGDMC-UHFFFAOYSA-N
XLogP40.80
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002254.83
LogP ≤ 540.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine?
The IUPAC name of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine (CID 160780549) is 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine is c1ccc(-c2nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc(-c3ccccc3-c3cccnc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncn4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cncnc4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine?
The InChIKey is SANCFDYKUVGDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N4S2.2C49H29N5S2/c1-2-11-31(12-3-1)48-52-49(54-50(53-48)41-17-5-4-14-38(41)34-13-10-24-51-30-34)37-26-35(32-20-22-46-42(28-32)39-15-6-8-18-44(39)55-46)25-36(27-37)33-21-23-47-43(29-33)40-16-7-9-19-45(40)56-47;1-2-8-31(9-3-1)47-52-48(32-16-14-30(15-17-32)38-27-50-29-51-28-38)54-49(53-47)37-23-35(33-18-20-45-41(25-33)39-10-4-6-12-43(39)55-45)22-36(24-37)34-19-21-46-42(26-34)40-11-5-7-13-44(40)56-46;1-2-8-31(9-3-1)47-52-48(32-16-14-30(15-17-32)42-22-23-50-29-51-42)54-49(53-47)37-25-35(33-18-20-45-40(27-33)38-10-4-6-12-43(38)55-45)24-36(26-37)34-19-21-46-41(28-34)39-11-5-7-13-44(39)56-46/h1-30H;2*1-29H.
What are the key properties of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine?
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine has a molecular weight of 2254.83 g/mol, XLogP of 40.80, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 160780549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).