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

C180H108N12O4S4 — CID 158190451

IUPAC2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccccn4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/4C45H27N3OS/c1-2-12-28(13-3-1)45-47-37(30-15-10-14-29(26-30)36-19-8-9-25-46-36)27-38(48-45)33-24-23-32(43-34-16-4-6-20-39(34)49-44(33)43)31-18-11-22-41-42(31)35-17-5-7-21-40(35)50-41;1-2-12-28(13-3-1)37-27-38(48-45(47-37)30-15-10-14-29(26-30)36-19-8-9-25-46-36)33-24-23-32(43-34-16-4-6-20-39(34)49-44(33)43)31-18-11-22-41-42(31)35-17-5-7-21-40(35)50-41;1-2-13-28(14-3-1)45-47-37(30-16-5-4-15-29(30)36-20-10-11-26-46-36)27-38(48-45)33-25-24-32(43-34-17-6-8-21-39(34)49-44(33)43)31-19-12-23-41-42(31)35-18-7-9-22-40(35)50-41;1-2-13-28(14-3-1)37-27-38(30-16-5-4-15-29(30)36-20-10-11-26-46-36)48-45(47-37)35-25-24-32(43-33-17-6-8-21-39(33)49-44(35)43)31-19-12-23-41-42(31)34-18-7-9-22-40(34)50-41/h4*1-27H
InChIKeyFZRNJXDNTONOGD-UHFFFAOYSA-N
MW2631.19 g/mol
LogP49.90
Rot. Bonds20

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

2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine (PubChem CID 158190451) has the molecular formula C180H108N12O4S4 and a molecular weight of 2631.19 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
PubChem CID158190451
Molecular FormulaC180H108N12O4S4
Molecular Weight2631.19 g/mol
Exact Mass2628.75
IUPAC Name2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccccn4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/4C45H27N3OS/c1-2-12-28(13-3-1)45-47-37(30-15-10-14-29(26-30)36-19-8-9-25-46-36)27-38(48-45)33-24-23-32(43-34-16-4-6-20-39(34)49-44(33)43)31-18-11-22-41-42(31)35-17-5-7-21-40(35)50-41;1-2-12-28(13-3-1)37-27-38(48-45(47-37)30-15-10-14-29(26-30)36-19-8-9-25-46-36)33-24-23-32(43-34-16-4-6-20-39(34)49-44(33)43)31-18-11-22-41-42(31)35-17-5-7-21-40(35)50-41;1-2-13-28(14-3-1)45-47-37(30-16-5-4-15-29(30)36-20-10-11-26-46-36)27-38(48-45)33-25-24-32(43-34-17-6-8-21-39(34)49-44(33)43)31-19-12-23-41-42(31)35-18-7-9-22-40(35)50-41;1-2-13-28(14-3-1)37-27-38(30-16-5-4-15-29(30)36-20-10-11-26-46-36)48-45(47-37)35-25-24-32(43-33-17-6-8-21-39(33)49-44(35)43)31-19-12-23-41-42(31)34-18-7-9-22-40(34)50-41/h4*1-27H
InChIKeyFZRNJXDNTONOGD-UHFFFAOYSA-N
XLogP49.90
TPSA207.24 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002631.19
LogP ≤ 549.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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

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Related Compounds

2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079454
4-[4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079072
4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079051
4-(4-dibenzothiophen-1-yldibenzofuran-1-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079053
2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079373
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077900
2-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 159763916
2-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077948
4-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 155078995
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079153
4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078672
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 155078795

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine (CID 158190451) is 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccccn4)c3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccccn4)c3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4cccc5sc6ccccc6c45)c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is FZRNJXDNTONOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H27N3OS/c1-2-12-28(13-3-1)45-47-37(30-15-10-14-29(26-30)36-19-8-9-25-46-36)27-38(48-45)33-24-23-32(43-34-16-4-6-20-39(34)49-44(33)43)31-18-11-22-41-42(31)35-17-5-7-21-40(35)50-41;1-2-12-28(13-3-1)37-27-38(48-45(47-37)30-15-10-14-29(26-30)36-19-8-9-25-46-36)33-24-23-32(43-34-16-4-6-20-39(34)49-44(33)43)31-18-11-22-41-42(31)35-17-5-7-21-40(35)50-41;1-2-13-28(14-3-1)45-47-37(30-16-5-4-15-29(30)36-20-10-11-26-46-36)27-38(48-45)33-25-24-32(43-34-17-6-8-21-39(34)49-44(33)43)31-19-12-23-41-42(31)35-18-7-9-22-40(35)50-41;1-2-13-28(14-3-1)37-27-38(30-16-5-4-15-29(30)36-20-10-11-26-46-36)48-45(47-37)35-25-24-32(43-33-17-6-8-21-39(33)49-44(35)43)31-19-12-23-41-42(31)34-18-7-9-22-40(34)50-41/h4*1-27H.
What are the key properties of 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine?
2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 2631.19 g/mol, XLogP of 49.90, 20 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 158190451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).