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

C206H126N10O4S4 — CID 157116829

IUPAC4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1
InChIInChI=1S/2C52H32N2OS.2C51H31N3OS/c1-3-14-33(15-4-1)37-18-7-8-20-43(37)52-53-45(35-16-5-2-6-17-35)32-46(54-52)36-28-26-34(27-29-36)38-30-31-40(49-44-21-9-11-24-47(44)55-50(38)49)42-23-13-22-41-39-19-10-12-25-48(39)56-51(41)42;1-3-14-33(15-4-1)37-18-7-8-19-39(37)46-32-45(53-52(54-46)36-16-5-2-6-17-36)35-28-26-34(27-29-35)38-30-31-41(49-44-21-9-11-24-47(44)55-50(38)49)43-23-13-22-42-40-20-10-12-25-48(40)56-51(42)43;1-2-9-37(10-3-1)51-53-44(35-21-17-32(18-22-35)33-27-29-52-30-28-33)31-45(54-51)36-23-19-34(20-24-36)38-25-26-40(48-43-12-4-6-15-46(43)55-49(38)48)42-14-8-13-41-39-11-5-7-16-47(39)56-50(41)42;1-2-9-35(10-3-1)44-31-45(36-21-17-32(18-22-36)33-27-29-52-30-28-33)54-51(53-44)37-23-19-34(20-24-37)38-25-26-40(48-43-12-4-6-15-46(43)55-49(38)48)42-14-8-13-41-39-11-5-7-16-47(39)56-50(41)42/h2*1-32H;2*1-31H
InChIKeyAHMTVJQIPVCTCL-UHFFFAOYSA-N
MW2933.61 g/mol
LogP57.77
Rot. Bonds24

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

4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine (PubChem CID 157116829) has the molecular formula C206H126N10O4S4 and a molecular weight of 2933.61 g/mol. Its IUPAC name is 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
PubChem CID157116829
Molecular FormulaC206H126N10O4S4
Molecular Weight2933.61 g/mol
Exact Mass2930.88
IUPAC Name4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1
InChIInChI=1S/2C52H32N2OS.2C51H31N3OS/c1-3-14-33(15-4-1)37-18-7-8-20-43(37)52-53-45(35-16-5-2-6-17-35)32-46(54-52)36-28-26-34(27-29-36)38-30-31-40(49-44-21-9-11-24-47(44)55-50(38)49)42-23-13-22-41-39-19-10-12-25-48(39)56-51(41)42;1-3-14-33(15-4-1)37-18-7-8-19-39(37)46-32-45(53-52(54-46)36-16-5-2-6-17-36)35-28-26-34(27-29-35)38-30-31-41(49-44-21-9-11-24-47(44)55-50(38)49)43-23-13-22-42-40-20-10-12-25-48(40)56-51(42)43;1-2-9-37(10-3-1)51-53-44(35-21-17-32(18-22-35)33-27-29-52-30-28-33)31-45(54-51)36-23-19-34(20-24-36)38-25-26-40(48-43-12-4-6-15-46(43)55-49(38)48)42-14-8-13-41-39-11-5-7-16-47(39)56-50(41)42;1-2-9-35(10-3-1)44-31-45(36-21-17-32(18-22-36)33-27-29-52-30-28-33)54-51(53-44)37-23-19-34(20-24-37)38-25-26-40(48-43-12-4-6-15-46(43)55-49(38)48)42-14-8-13-41-39-11-5-7-16-47(39)56-50(41)42/h2*1-32H;2*1-31H
InChIKeyAHMTVJQIPVCTCL-UHFFFAOYSA-N
XLogP57.77
TPSA181.46 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds24
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.61
LogP ≤ 557.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-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-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725
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
(5Z)-5-[[2-[[4-[[4-fluoro-2-(furan-2-yl)phenyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[1-(6-thiophen-3-yl-2-pyridinyl)ethylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[(6-thiophen-2-yl-2-pyridinyl)methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione;(5Z)-5-[[2-[[4-[[6-[2-(trifluoromethyl)phenyl]-2-pyridinyl]methylamino]cyclohexyl]methyl]pyrimidin-4-yl]methylidene]thiolane-2,4-dione
CID 157512391

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine (CID 157116829) is 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccncc4)cc3)nc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)cc(-c3ccccc3-c3ccccc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccncc4)cc3)cc(-c3ccc(-c4ccc(-c5cccc6c5sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.
What is the InChIKey of 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is AHMTVJQIPVCTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C52H32N2OS.2C51H31N3OS/c1-3-14-33(15-4-1)37-18-7-8-20-43(37)52-53-45(35-16-5-2-6-17-35)32-46(54-52)36-28-26-34(27-29-36)38-30-31-40(49-44-21-9-11-24-47(44)55-50(38)49)42-23-13-22-41-39-19-10-12-25-48(39)56-51(41)42;1-3-14-33(15-4-1)37-18-7-8-19-39(37)46-32-45(53-52(54-46)36-16-5-2-6-17-36)35-28-26-34(27-29-35)38-30-31-41(49-44-21-9-11-24-47(44)55-50(38)49)43-23-13-22-42-40-20-10-12-25-48(40)56-51(42)43;1-2-9-37(10-3-1)51-53-44(35-21-17-32(18-22-35)33-27-29-52-30-28-33)31-45(54-51)36-23-19-34(20-24-36)38-25-26-40(48-43-12-4-6-15-46(43)55-49(38)48)42-14-8-13-41-39-11-5-7-16-47(39)56-50(41)42;1-2-9-35(10-3-1)44-31-45(36-21-17-32(18-22-36)33-27-29-52-30-28-33)54-51(53-44)37-23-19-34(20-24-37)38-25-26-40(48-43-12-4-6-15-46(43)55-49(38)48)42-14-8-13-41-39-11-5-7-16-47(39)56-50(41)42/h2*1-32H;2*1-31H.
What are the key properties of 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine?
4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 2933.61 g/mol, XLogP of 57.77, 24 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-phenylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 157116829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).