4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine

C154H94N8O3S3 — CID 157140845

IUPAC4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C52H32N2OS.2C51H31N3OS/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-44(36-14-5-2-6-15-36)32-45(54-52)37-26-24-35(25-27-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-2-11-34(12-3-1)51-53-43(30-44(54-51)36-14-8-13-35(29-36)37-15-10-28-52-31-37)33-24-22-32(23-25-33)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-11-33(12-3-1)43-30-44(36-14-8-13-35(29-36)37-15-10-28-52-31-37)54-51(53-43)34-24-22-32(23-25-34)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47/h1-32H;2*1-31H
InChIKeyAKDYRUKLKINMSM-UHFFFAOYSA-N
MW2200.70 g/mol
LogP43.03
Rot. Bonds18

About 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine

4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 157140845) has the molecular formula C154H94N8O3S3 and a molecular weight of 2200.70 g/mol. Its IUPAC name is 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID157140845
Molecular FormulaC154H94N8O3S3
Molecular Weight2200.70 g/mol
Exact Mass2198.66
IUPAC Name4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1
InChIInChI=1S/C52H32N2OS.2C51H31N3OS/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-44(36-14-5-2-6-15-36)32-45(54-52)37-26-24-35(25-27-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-2-11-34(12-3-1)51-53-43(30-44(54-51)36-14-8-13-35(29-36)37-15-10-28-52-31-37)33-24-22-32(23-25-33)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-11-33(12-3-1)43-30-44(36-14-8-13-35(29-36)37-15-10-28-52-31-37)54-51(53-43)34-24-22-32(23-25-34)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47/h1-32H;2*1-31H
InChIKeyAKDYRUKLKINMSM-UHFFFAOYSA-N
XLogP43.03
TPSA142.54 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002200.70
LogP ≤ 543.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)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

2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-3-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519456
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519473
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-2-yl)-1,3,5-triazine
CID 147710318
2-[6-[4-(4-Tert-butylphenyl)-6-[8-[6-[4-[6-[2-(3-fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-6-phenyl-1,3,5-triazin-2-yl]-4-phenyldibenzofuran-2-yl]-6-phenyldibenzothiophen-4-yl]-1,3,5-triazin-2-yl]dibenzofuran-4-yl]quinazoline
CID 148308671
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-1-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 149135658
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 155096700
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-4-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096713
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-1-yl)-6-(7-pyridin-3-yldibenzothiophen-4-yl)-1,3,5-triazine
CID 155096731
2-Dibenzofuran-2-yl-4-(4-fluorophenyl)-6-[2-(2-pyridin-2-ylphenyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 156341436
3-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-ethenylpent-4-enenitrile;4-([1]benzothiolo[3,2-d]pyrimidin-4-yl)-2-methylidenehex-5-enenitrile;tetrakis(2-dibenzofuran-1-yl-4,6-diphenyl-1,3,5-triazine);4-[(5E)-6-fluorohexa-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine;4-[(5E)-7,7,7-trifluorohepta-1,5-dien-3-yl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157080266
CID 157442309
CID 157442309

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine (CID 157140845) is 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)n2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc(-c6cccc7sc8ccccc8c67)c6oc7ccccc7c56)cc4)n3)cc2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6sc7ccccc7c56)c5oc6ccccc6c45)cc3)cc(-c3cccc(-c4cccnc4)c3)n2)cc1.
What is the InChIKey of 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is AKDYRUKLKINMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS.2C51H31N3OS/c1-3-12-33(13-4-1)34-22-28-38(29-23-34)52-53-44(36-14-5-2-6-15-36)32-45(54-52)37-26-24-35(25-27-37)39-30-31-41(51-50(39)42-16-7-9-19-46(42)55-51)40-18-11-21-48-49(40)43-17-8-10-20-47(43)56-48;1-2-11-34(12-3-1)51-53-43(30-44(54-51)36-14-8-13-35(29-36)37-15-10-28-52-31-37)33-24-22-32(23-25-33)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47;1-2-11-33(12-3-1)43-30-44(36-14-8-13-35(29-36)37-15-10-28-52-31-37)54-51(53-43)34-24-22-32(23-25-34)38-26-27-40(50-49(38)41-16-4-6-19-45(41)55-50)39-18-9-21-47-48(39)42-17-5-7-20-46(42)56-47/h1-32H;2*1-31H.
What are the key properties of 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine?
4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 2200.70 g/mol, XLogP of 43.03, 18 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 157140845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).