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

C187H113N11O4S4 — CID 157288108

IUPAC4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccc(-c4ccccn4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C52H32N2OS.3C45H27N3OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)52-53-45(35-18-8-3-9-19-35)32-46(54-52)43-27-26-40(50-44-21-10-12-22-47(44)55-51(43)50)36-24-25-42-41-20-11-13-23-48(41)56-49(42)31-36;1-2-10-30(11-3-1)45-47-38(29-19-17-28(18-20-29)37-14-8-9-25-46-37)27-39(48-45)35-24-23-32(43-36-13-4-6-15-40(36)49-44(35)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31;1-2-10-28(11-3-1)38-27-39(48-45(47-38)30-19-17-29(18-20-30)37-14-8-9-25-46-37)35-24-23-32(43-36-13-4-6-15-40(36)49-44(35)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31;1-2-10-28(11-3-1)38-27-39(30-19-17-29(18-20-30)37-14-8-9-25-46-37)48-45(47-38)36-24-23-32(43-35-13-4-6-15-40(35)49-44(36)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31/h1-32H;3*1-27H
InChIKeyBAMCOLCFAZLXPA-UHFFFAOYSA-N
MW2706.30 g/mol
LogP52.17
Rot. Bonds21

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

4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine (PubChem CID 157288108) has the molecular formula C187H113N11O4S4 and a molecular weight of 2706.30 g/mol. Its IUPAC name is 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
PubChem CID157288108
Molecular FormulaC187H113N11O4S4
Molecular Weight2706.30 g/mol
Exact Mass2703.79
IUPAC Name4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccc(-c4ccccn4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C52H32N2OS.3C45H27N3OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)52-53-45(35-18-8-3-9-19-35)32-46(54-52)43-27-26-40(50-44-21-10-12-22-47(44)55-51(43)50)36-24-25-42-41-20-11-13-23-48(41)56-49(42)31-36;1-2-10-30(11-3-1)45-47-38(29-19-17-28(18-20-29)37-14-8-9-25-46-37)27-39(48-45)35-24-23-32(43-36-13-4-6-15-40(36)49-44(35)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31;1-2-10-28(11-3-1)38-27-39(48-45(47-38)30-19-17-29(18-20-30)37-14-8-9-25-46-37)35-24-23-32(43-36-13-4-6-15-40(36)49-44(35)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31;1-2-10-28(11-3-1)38-27-39(30-19-17-29(18-20-30)37-14-8-9-25-46-37)48-45(47-38)36-24-23-32(43-35-13-4-6-15-40(35)49-44(36)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31/h1-32H;3*1-27H
InChIKeyBAMCOLCFAZLXPA-UHFFFAOYSA-N
XLogP52.17
TPSA194.35 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002706.30
LogP ≤ 552.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(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 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine (CID 157288108) is 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccc(-c4ccccn4)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccccn4)cc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2cc(-c3ccccc3)cc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)c2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is BAMCOLCFAZLXPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H32N2OS.3C45H27N3OS/c1-4-14-33(15-5-1)37-28-38(34-16-6-2-7-17-34)30-39(29-37)52-53-45(35-18-8-3-9-19-35)32-46(54-52)43-27-26-40(50-44-21-10-12-22-47(44)55-51(43)50)36-24-25-42-41-20-11-13-23-48(41)56-49(42)31-36;1-2-10-30(11-3-1)45-47-38(29-19-17-28(18-20-29)37-14-8-9-25-46-37)27-39(48-45)35-24-23-32(43-36-13-4-6-15-40(36)49-44(35)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31;1-2-10-28(11-3-1)38-27-39(48-45(47-38)30-19-17-29(18-20-30)37-14-8-9-25-46-37)35-24-23-32(43-36-13-4-6-15-40(36)49-44(35)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31;1-2-10-28(11-3-1)38-27-39(30-19-17-29(18-20-30)37-14-8-9-25-46-37)48-45(47-38)36-24-23-32(43-35-13-4-6-15-40(35)49-44(36)43)31-21-22-34-33-12-5-7-16-41(33)50-42(34)26-31/h1-32H;3*1-27H.
What are the key properties of 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine?
4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 2706.30 g/mol, XLogP of 52.17, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-(3,5-diphenylphenyl)-6-phenylpyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 157288108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).