2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine

C201H123N9O4S4 — CID 157192969

IUPAC2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/3C52H32N2OS.C45H27N3OS/c1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)44-32-45(54-52(53-44)35-19-8-3-9-20-35)41-28-27-40(50-42-21-10-12-24-46(42)55-51(41)50)39-23-14-26-48-49(39)43-22-11-13-25-47(43)56-48;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)52-53-44(35-19-8-3-9-20-35)32-45(54-52)41-28-27-40(50-42-21-10-12-24-46(42)55-51(41)50)39-23-14-26-48-49(39)43-22-11-13-25-47(43)56-48;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)45-32-44(35-19-8-3-9-20-35)53-52(54-45)43-28-27-40(50-41-21-10-12-24-46(41)55-51(43)50)39-23-14-26-48-49(39)42-22-11-13-25-47(42)56-48;1-2-11-28(12-3-1)37-27-38(30-22-20-29(21-23-30)36-16-8-9-26-46-36)48-45(47-37)35-25-24-32(43-33-13-4-6-17-39(33)49-44(35)43)31-15-10-19-41-42(31)34-14-5-7-18-40(34)50-41/h3*1-32H;1-27H
InChIKeyAPXMEJLCHRKZHV-UHFFFAOYSA-N
MW2856.52 g/mol
LogP56.71
Rot. Bonds23

About 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine

2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine (PubChem CID 157192969) has the molecular formula C201H123N9O4S4 and a molecular weight of 2856.52 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
PubChem CID157192969
Molecular FormulaC201H123N9O4S4
Molecular Weight2856.52 g/mol
Exact Mass2853.86
IUPAC Name2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1
InChIInChI=1S/3C52H32N2OS.C45H27N3OS/c1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)44-32-45(54-52(53-44)35-19-8-3-9-20-35)41-28-27-40(50-42-21-10-12-24-46(42)55-51(41)50)39-23-14-26-48-49(39)43-22-11-13-25-47(43)56-48;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)52-53-44(35-19-8-3-9-20-35)32-45(54-52)41-28-27-40(50-42-21-10-12-24-46(42)55-51(41)50)39-23-14-26-48-49(39)43-22-11-13-25-47(43)56-48;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)45-32-44(35-19-8-3-9-20-35)53-52(54-45)43-28-27-40(50-41-21-10-12-24-46(41)55-51(43)50)39-23-14-26-48-49(39)42-22-11-13-25-47(42)56-48;1-2-11-28(12-3-1)37-27-38(30-22-20-29(21-23-30)36-16-8-9-26-46-36)48-45(47-37)35-25-24-32(43-33-13-4-6-17-39(33)49-44(35)43)31-15-10-19-41-42(31)34-14-5-7-18-40(34)50-41/h3*1-32H;1-27H
InChIKeyAPXMEJLCHRKZHV-UHFFFAOYSA-N
XLogP56.71
TPSA168.57 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms218
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002856.52
LogP ≤ 556.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine with MolForge

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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-(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
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine (CID 157192969) is 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccc6sc7ccccc7c56)c5c4oc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is APXMEJLCHRKZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/3C52H32N2OS.C45H27N3OS/c1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)44-32-45(54-52(53-44)35-19-8-3-9-20-35)41-28-27-40(50-42-21-10-12-24-46(42)55-51(41)50)39-23-14-26-48-49(39)43-22-11-13-25-47(43)56-48;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)52-53-44(35-19-8-3-9-20-35)32-45(54-52)41-28-27-40(50-42-21-10-12-24-46(42)55-51(41)50)39-23-14-26-48-49(39)43-22-11-13-25-47(43)56-48;1-4-15-33(16-5-1)36-29-37(34-17-6-2-7-18-34)31-38(30-36)45-32-44(35-19-8-3-9-20-35)53-52(54-45)43-28-27-40(50-41-21-10-12-24-46(41)55-51(43)50)39-23-14-26-48-49(39)42-22-11-13-25-47(42)56-48;1-2-11-28(12-3-1)37-27-38(30-22-20-29(21-23-30)36-16-8-9-26-46-36)48-45(47-37)35-25-24-32(43-33-13-4-6-17-39(33)49-44(35)43)31-15-10-19-41-42(31)34-14-5-7-18-40(34)50-41/h3*1-32H;1-27H.
What are the key properties of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 2856.52 g/mol, XLogP of 56.71, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-(3,5-diphenylphenyl)-2-phenylpyrimidine;2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 157192969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).