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

C204H124N12O4S4 — CID 157149757

IUPAC2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccncc4)c3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccncc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/4C51H31N3OS/c1-2-9-35(10-3-1)51-53-44(31-45(54-51)38-12-8-11-36(29-38)32-25-27-52-28-26-32)34-19-17-33(18-20-34)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-9-34(10-3-1)44-31-45(38-12-8-11-36(29-38)32-25-27-52-28-26-32)54-51(53-44)35-19-17-33(18-20-35)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-9-34(10-3-1)44-31-45(54-51(53-44)38-12-8-11-36(29-38)32-25-27-52-28-26-32)35-19-17-33(18-20-35)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-10-34(11-3-1)44-31-45(40-13-5-4-12-37(40)33-26-28-52-29-27-33)54-51(53-44)35-20-18-32(19-21-35)39-25-24-38(49-43-15-6-8-16-46(43)55-50(39)49)36-22-23-42-41-14-7-9-17-47(41)56-48(42)30-36/h4*1-31H
InChIKeyALCSLYXKMYHPBK-UHFFFAOYSA-N
MW2935.58 g/mol
LogP56.56
Rot. Bonds24

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

2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine (PubChem CID 157149757) has the molecular formula C204H124N12O4S4 and a molecular weight of 2935.58 g/mol. Its IUPAC name is 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
PubChem CID157149757
Molecular FormulaC204H124N12O4S4
Molecular Weight2935.58 g/mol
Exact Mass2932.88
IUPAC Name2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccncc4)c3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccncc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccncc4)c3)n2)cc1
InChIInChI=1S/4C51H31N3OS/c1-2-9-35(10-3-1)51-53-44(31-45(54-51)38-12-8-11-36(29-38)32-25-27-52-28-26-32)34-19-17-33(18-20-34)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-9-34(10-3-1)44-31-45(38-12-8-11-36(29-38)32-25-27-52-28-26-32)54-51(53-44)35-19-17-33(18-20-35)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-9-34(10-3-1)44-31-45(54-51(53-44)38-12-8-11-36(29-38)32-25-27-52-28-26-32)35-19-17-33(18-20-35)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-10-34(11-3-1)44-31-45(40-13-5-4-12-37(40)33-26-28-52-29-27-33)54-51(53-44)35-20-18-32(19-21-35)39-25-24-38(49-43-15-6-8-16-46(43)55-50(39)49)36-22-23-42-41-14-7-9-17-47(41)56-48(42)30-36/h4*1-31H
InChIKeyALCSLYXKMYHPBK-UHFFFAOYSA-N
XLogP56.56
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds24
Heavy Atoms224
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002935.58
LogP ≤ 556.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-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-(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 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine (CID 157149757) is 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ccncc4)c3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccncc3)nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)cc(-c3cccc(-c4ccncc4)c3)n2)cc1.
What is the InChIKey of 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is ALCSLYXKMYHPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/4C51H31N3OS/c1-2-9-35(10-3-1)51-53-44(31-45(54-51)38-12-8-11-36(29-38)32-25-27-52-28-26-32)34-19-17-33(18-20-34)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-9-34(10-3-1)44-31-45(38-12-8-11-36(29-38)32-25-27-52-28-26-32)54-51(53-44)35-19-17-33(18-20-35)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-9-34(10-3-1)44-31-45(54-51(53-44)38-12-8-11-36(29-38)32-25-27-52-28-26-32)35-19-17-33(18-20-35)40-24-23-39(49-43-14-4-6-15-46(43)55-50(40)49)37-21-22-42-41-13-5-7-16-47(41)56-48(42)30-37;1-2-10-34(11-3-1)44-31-45(40-13-5-4-12-37(40)33-26-28-52-29-27-33)54-51(53-44)35-20-18-32(19-21-35)39-25-24-38(49-43-15-6-8-16-46(43)55-50(39)49)36-22-23-42-41-14-7-9-17-47(41)56-48(42)30-36/h4*1-31H.
What are the key properties of 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine has a molecular weight of 2935.58 g/mol, XLogP of 56.56, 24 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine;4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 157149757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).