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

C182H110N10O4S4 — CID 158060799

IUPAC2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/2C46H28N2OS.2C45H27N3OS/c1-3-14-29(15-4-1)31-18-7-8-19-32(31)39-28-40(48-46(47-39)30-16-5-2-6-17-30)37-27-26-34(44-43(37)38-21-9-11-24-41(38)49-44)36-23-13-22-35-33-20-10-12-25-42(33)50-45(35)36;1-3-14-29(15-4-1)31-18-7-8-19-32(31)40-28-39(30-16-5-2-6-17-30)47-46(48-40)38-27-26-34(44-43(38)37-21-9-11-24-41(37)49-44)36-23-13-22-35-33-20-10-12-25-42(33)50-45(35)36;1-2-11-28(12-3-1)45-47-38(30-14-8-13-29(25-30)31-15-10-24-46-27-31)26-39(48-45)36-23-22-33(43-42(36)37-17-4-6-20-40(37)49-43)35-19-9-18-34-32-16-5-7-21-41(32)50-44(34)35;1-2-11-28(12-3-1)38-26-39(48-45(47-38)30-14-8-13-29(25-30)31-15-10-24-46-27-31)36-23-22-33(43-42(36)37-17-4-6-20-40(37)49-43)35-19-9-18-34-32-16-5-7-21-41(32)50-44(34)35/h2*1-28H;2*1-27H
InChIKeyFKPPNMOUSHUYFI-UHFFFAOYSA-N
MW2629.22 g/mol
LogP51.11
Rot. Bonds20

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

2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine (PubChem CID 158060799) has the molecular formula C182H110N10O4S4 and a molecular weight of 2629.22 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
PubChem CID158060799
Molecular FormulaC182H110N10O4S4
Molecular Weight2629.22 g/mol
Exact Mass2626.76
IUPAC Name2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1
InChIInChI=1S/2C46H28N2OS.2C45H27N3OS/c1-3-14-29(15-4-1)31-18-7-8-19-32(31)39-28-40(48-46(47-39)30-16-5-2-6-17-30)37-27-26-34(44-43(37)38-21-9-11-24-41(38)49-44)36-23-13-22-35-33-20-10-12-25-42(33)50-45(35)36;1-3-14-29(15-4-1)31-18-7-8-19-32(31)40-28-39(30-16-5-2-6-17-30)47-46(48-40)38-27-26-34(44-43(38)37-21-9-11-24-41(37)49-44)36-23-13-22-35-33-20-10-12-25-42(33)50-45(35)36;1-2-11-28(12-3-1)45-47-38(30-14-8-13-29(25-30)31-15-10-24-46-27-31)26-39(48-45)36-23-22-33(43-42(36)37-17-4-6-20-40(37)49-43)35-19-9-18-34-32-16-5-7-21-41(32)50-44(34)35;1-2-11-28(12-3-1)38-26-39(48-45(47-38)30-14-8-13-29(25-30)31-15-10-24-46-27-31)36-23-22-33(43-42(36)37-17-4-6-20-40(37)49-43)35-19-9-18-34-32-16-5-7-21-41(32)50-44(34)35/h2*1-28H;2*1-27H
InChIKeyFKPPNMOUSHUYFI-UHFFFAOYSA-N
XLogP51.11
TPSA181.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002629.22
LogP ≤ 551.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(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-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519473
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-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
2-[2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile;3-[2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 157631137
(5Z)-5-[[2-[[4-[[2-(1-benzofuran-2-yl)-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-(4-fluorophenyl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(4-fluoro-2-pyridin-3-ylphenyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-[4-(trifluoromethyl)phenyl]phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[2-[2-(trifluoromethyl)phenyl]-3-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157988187
N,N-bis[3-[2-(2,6-dimethylphenyl)furo[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]-4,6-dimethylpyrimidin-5-amine;N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-methylbenzene-2-id-1-yl]-N-[3-[2-(4-tert-butylphenyl)furo[2,3-c]pyridin-7-yl]-5-(trifluoromethyl)benzene-2-id-1-yl]-2,4-dimethylpyridin-3-amine;2-(2,6-dimethylphenyl)-7-[3-[3-[2-(2,6-dimethylphenyl)thieno[2,3-c]pyridin-7-yl]-5-phenylbenzene-2-id-1-yl]oxy-5-phenylbenzene-2-id-1-yl]thieno[2,3-c]pyridine;tris(platinum(2+))
CID 158307997
3-[2-[9-(4,6-Diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-[1]benzothiolo[3,2-d]pyrimidin-4-yl]benzonitrile;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(4-fluorophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-(2-isocyanophenyl)-[1]benzothiolo[3,2-d]pyrimidine;2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-4-[4-(trifluoromethyl)phenyl]-[1]benzothiolo[3,2-d]pyrimidine
CID 158951677

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine (CID 158060799) is 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)nc(-c3cccc(-c4cccnc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4oc5ccccc5c34)n2)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is FKPPNMOUSHUYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2OS.2C45H27N3OS/c1-3-14-29(15-4-1)31-18-7-8-19-32(31)39-28-40(48-46(47-39)30-16-5-2-6-17-30)37-27-26-34(44-43(37)38-21-9-11-24-41(38)49-44)36-23-13-22-35-33-20-10-12-25-42(33)50-45(35)36;1-3-14-29(15-4-1)31-18-7-8-19-32(31)40-28-39(30-16-5-2-6-17-30)47-46(48-40)38-27-26-34(44-43(38)37-21-9-11-24-41(37)49-44)36-23-13-22-35-33-20-10-12-25-42(33)50-45(35)36;1-2-11-28(12-3-1)45-47-38(30-14-8-13-29(25-30)31-15-10-24-46-27-31)26-39(48-45)36-23-22-33(43-42(36)37-17-4-6-20-40(37)49-43)35-19-9-18-34-32-16-5-7-21-41(32)50-44(34)35;1-2-11-28(12-3-1)38-26-39(48-45(47-38)30-14-8-13-29(25-30)31-15-10-24-46-27-31)36-23-22-33(43-42(36)37-17-4-6-20-40(37)49-43)35-19-9-18-34-32-16-5-7-21-41(32)50-44(34)35/h2*1-28H;2*1-27H.
What are the key properties of 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine?
2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 2629.22 g/mol, XLogP of 51.11, 20 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 158060799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).