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

C158H95N13S6 — CID 159725926

IUPAC2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
SMILESCc1ccccc1-c1nc(-c2ccc(-c3cccnc3)cc2)nc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)n1.N#Cc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)c2)cc1
InChIInChI=1S/C56H34N4S2.C51H29N5S2.C51H32N4S2/c1-2-10-35(11-3-1)38-12-8-13-41(28-38)55-58-54(37-21-19-36(20-22-37)42-14-9-27-57-34-42)59-56(60-55)45-30-43(39-23-25-52-48(32-39)46-15-4-6-17-50(46)61-52)29-44(31-45)40-24-26-53-49(33-40)47-16-5-7-18-51(47)62-53;52-29-31-11-13-33(14-12-31)49-54-50(34-17-15-32(16-18-34)37-6-5-23-53-30-37)56-51(55-49)40-25-38(35-19-21-47-43(27-35)41-7-1-3-9-45(41)57-47)24-39(26-40)36-20-22-48-44(28-36)42-8-2-4-10-46(42)58-48;1-31-9-2-3-11-40(31)51-54-49(33-18-16-32(17-19-33)36-10-8-24-52-30-36)53-50(55-51)39-26-37(34-20-22-47-43(28-34)41-12-4-6-14-45(41)56-47)25-38(27-39)35-21-23-48-44(29-35)42-13-5-7-15-46(42)57-48/h1-34H;1-28,30H;2-30H,1H3
InChIKeyNAPZWLZHXXANBX-UHFFFAOYSA-N
MW2367.99 g/mol
LogP43.86
Rot. Bonds19

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

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 159725926) has the molecular formula C158H95N13S6 and a molecular weight of 2367.99 g/mol. Its IUPAC name is 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
PubChem CID159725926
Molecular FormulaC158H95N13S6
Molecular Weight2367.99 g/mol
Exact Mass2365.62
IUPAC Name2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile
SMILESCc1ccccc1-c1nc(-c2ccc(-c3cccnc3)cc2)nc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)n1.N#Cc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)c2)cc1
InChIInChI=1S/C56H34N4S2.C51H29N5S2.C51H32N4S2/c1-2-10-35(11-3-1)38-12-8-13-41(28-38)55-58-54(37-21-19-36(20-22-37)42-14-9-27-57-34-42)59-56(60-55)45-30-43(39-23-25-52-48(32-39)46-15-4-6-17-50(46)61-52)29-44(31-45)40-24-26-53-49(33-40)47-16-5-7-18-51(47)62-53;52-29-31-11-13-33(14-12-31)49-54-50(34-17-15-32(16-18-34)37-6-5-23-53-30-37)56-51(55-49)40-25-38(35-19-21-47-43(27-35)41-7-1-3-9-45(41)57-47)24-39(26-40)36-20-22-48-44(28-36)42-8-2-4-10-46(42)58-48;1-31-9-2-3-11-40(31)51-54-49(33-18-16-32(17-19-33)36-10-8-24-52-30-36)53-50(55-51)39-26-37(34-20-22-47-43(28-34)41-12-4-6-14-45(41)56-47)25-38(27-39)35-21-23-48-44(29-35)42-13-5-7-15-46(42)57-48/h1-34H;1-28,30H;2-30H,1H3
InChIKeyNAPZWLZHXXANBX-UHFFFAOYSA-N
XLogP43.86
TPSA178.47 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002367.99
LogP ≤ 543.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

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

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Related Compounds

2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130263493
4-[6-(4-dibenzothiophen-2-ylphenyl)-2-(3-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130262033
4-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130263265
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine
CID 130262835
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171585774
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-phenylphenyl)-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 130263335
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(4-fluorophenyl)-6-phenyl-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 167683609
4-[6-dibenzothiophen-2-yl-2-(2-pyridin-3-ylphenyl)pyrimidin-4-yl]benzonitrile
CID 130262648
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 161440420
4-[4-[4-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzonitrile
CID 155050156
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-4-phenyl-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;2-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile;3-[4-[3,5-di(dibenzothiophen-4-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 159559181
2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118650929

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile (CID 159725926) is 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile is Cc1ccccc1-c1nc(-c2ccc(-c3cccnc3)cc2)nc(-c2cc(-c3ccc4sc5ccccc5c4c3)cc(-c3ccc4sc5ccccc5c4c3)c2)n1.N#Cc1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)nc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc(-c5cccnc5)cc4)nc(-c4cc(-c5ccc6sc7ccccc7c6c5)cc(-c5ccc6sc7ccccc7c6c5)c4)n3)c2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is NAPZWLZHXXANBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4S2.C51H29N5S2.C51H32N4S2/c1-2-10-35(11-3-1)38-12-8-13-41(28-38)55-58-54(37-21-19-36(20-22-37)42-14-9-27-57-34-42)59-56(60-55)45-30-43(39-23-25-52-48(32-39)46-15-4-6-17-50(46)61-52)29-44(31-45)40-24-26-53-49(33-40)47-16-5-7-18-51(47)62-53;52-29-31-11-13-33(14-12-31)49-54-50(34-17-15-32(16-18-34)37-6-5-23-53-30-37)56-51(55-49)40-25-38(35-19-21-47-43(27-35)41-7-1-3-9-45(41)57-47)24-39(26-40)36-20-22-48-44(28-36)42-8-2-4-10-46(42)58-48;1-31-9-2-3-11-40(31)51-54-49(33-18-16-32(17-19-33)36-10-8-24-52-30-36)53-50(55-51)39-26-37(34-20-22-47-43(28-34)41-12-4-6-14-45(41)56-47)25-38(27-39)35-21-23-48-44(29-35)42-13-5-7-15-46(42)57-48/h1-34H;1-28,30H;2-30H,1H3.
What are the key properties of 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile?
2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 2367.99 g/mol, XLogP of 43.86, 19 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(2-methylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-4-(3-phenylphenyl)-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine;4-[4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-pyridin-3-ylphenyl)-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 159725926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).