2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine

C142H82N16S6 — CID 162027479

IUPAC2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESN#Cc1ccccc1-c1nc(-c2ccc3sc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)c2sc3ccccc3c2n1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7nc(-c8ccccc8)nc8c7sc7ccccc78)cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5sc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c4sc5ccccc5c4n3)c2)cc1
InChIInChI=1S/2C49H29N5S2.C44H24N6S2/c1-4-14-30(15-5-1)33-20-12-21-35(28-33)48-50-43(45-44(51-48)36-22-10-11-24-39(36)56-45)34-26-27-40-38(29-34)42-37(23-13-25-41(42)55-40)49-53-46(31-16-6-2-7-17-31)52-47(54-49)32-18-8-3-9-19-32;1-4-13-30(14-5-1)31-23-25-34(26-24-31)48-52-47(33-17-8-3-9-18-33)53-49(54-48)37-20-12-22-41-42(37)38-29-35(27-28-40(38)55-41)43-45-44(36-19-10-11-21-39(36)56-45)51-46(50-43)32-15-6-2-7-16-32;45-25-29-16-7-8-17-30(29)43-46-38(40-39(47-43)31-18-9-10-20-34(31)52-40)28-22-23-35-33(24-28)37-32(19-11-21-36(37)51-35)44-49-41(26-12-3-1-4-13-26)48-42(50-44)27-14-5-2-6-15-27/h2*1-29H;1-24H
InChIKeyYVOOZSUOFROOHR-UHFFFAOYSA-N
MW2204.73 g/mol
LogP38.40
Rot. Bonds17

About 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine

2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine (PubChem CID 162027479) has the molecular formula C142H82N16S6 and a molecular weight of 2204.73 g/mol. Its IUPAC name is 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
PubChem CID162027479
Molecular FormulaC142H82N16S6
Molecular Weight2204.73 g/mol
Exact Mass2202.52
IUPAC Name2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
SMILESN#Cc1ccccc1-c1nc(-c2ccc3sc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)c2sc3ccccc3c2n1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7nc(-c8ccccc8)nc8c7sc7ccccc78)cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5sc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c4sc5ccccc5c4n3)c2)cc1
InChIInChI=1S/2C49H29N5S2.C44H24N6S2/c1-4-14-30(15-5-1)33-20-12-21-35(28-33)48-50-43(45-44(51-48)36-22-10-11-24-39(36)56-45)34-26-27-40-38(29-34)42-37(23-13-25-41(42)55-40)49-53-46(31-16-6-2-7-17-31)52-47(54-49)32-18-8-3-9-19-32;1-4-13-30(14-5-1)31-23-25-34(26-24-31)48-52-47(33-17-8-3-9-18-33)53-49(54-48)37-20-12-22-41-42(37)38-29-35(27-28-40(38)55-41)43-45-44(36-19-10-11-21-39(36)56-45)51-46(50-43)32-15-6-2-7-16-32;45-25-29-16-7-8-17-30(29)43-46-38(40-39(47-43)31-18-9-10-20-34(31)52-40)28-22-23-35-33(24-28)37-32(19-11-21-36(37)51-35)44-49-41(26-12-3-1-4-13-26)48-42(50-44)27-14-5-2-6-15-27/h2*1-29H;1-24H
InChIKeyYVOOZSUOFROOHR-UHFFFAOYSA-N
XLogP38.40
TPSA217.14 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms164
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002204.73
LogP ≤ 538.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Analyze 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 158703987
3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile
CID 153086366
4-[9-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 149377900
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 153309387
4-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine;4-[9-(4-dibenzothiophen-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 159176355
2-[9-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 153309486
4-[9-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-[4-[1-(4-dibenzothiophen-3-yl-6-phenyl-1,3,5-triazin-2-yl)-8-(2-phenyl-[1]benzothiolo[3,2-d]pyrimidin-4-yl)dibenzothiophen-4-yl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 149438795
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 155050241
2-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4,6-diphenyl-1,3,5-triazine;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 159314383
2-[9-(4-dibenzofuran-2-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 142519420
4-(3-phenylphenyl)-2-[3-[4-(3-phenylphenyl)phenyl]phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 118229366
2-phenyl-4-(4-phenylphenyl)-7-(8-triphenylen-2-yldibenzothiophen-1-yl)-[1]benzothiolo[3,2-d]pyrimidine
CID 170397459

Frequently Asked Questions

What is the IUPAC name of 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The IUPAC name of 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine (CID 162027479) is 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine.
What is the SMILES notation for 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The canonical SMILES for 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine is N#Cc1ccccc1-c1nc(-c2ccc3sc4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4c3c2)c2sc3ccccc3c2n1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5sc6ccc(-c7nc(-c8ccccc8)nc8c7sc7ccccc78)cc6c45)n3)cc2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5sc6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6c5c4)c4sc5ccccc5c4n3)c2)cc1.
What is the InChIKey of 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine?
The InChIKey is YVOOZSUOFROOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C49H29N5S2.C44H24N6S2/c1-4-14-30(15-5-1)33-20-12-21-35(28-33)48-50-43(45-44(51-48)36-22-10-11-24-39(36)56-45)34-26-27-40-38(29-34)42-37(23-13-25-41(42)55-40)49-53-46(31-16-6-2-7-17-31)52-47(54-49)32-18-8-3-9-19-32;1-4-13-30(14-5-1)31-23-25-34(26-24-31)48-52-47(33-17-8-3-9-18-33)53-49(54-48)37-20-12-22-41-42(37)38-29-35(27-28-40(38)55-41)43-45-44(36-19-10-11-21-39(36)56-45)51-46(50-43)32-15-6-2-7-16-32;45-25-29-16-7-8-17-30(29)43-46-38(40-39(47-43)31-18-9-10-20-34(31)52-40)28-22-23-35-33(24-28)37-32(19-11-21-36(37)51-35)44-49-41(26-12-3-1-4-13-26)48-42(50-44)27-14-5-2-6-15-27/h2*1-29H;1-24H.
What are the key properties of 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine?
2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine has a molecular weight of 2204.73 g/mol, XLogP of 38.40, 17 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-2-yl]benzonitrile;4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-2-(3-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-phenyl-4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-[1]benzothiolo[3,2-d]pyrimidine is sourced from PubChem (CID 162027479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).