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

C180H108N12O4S4 — CID 157431358

IUPAC2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccccc3-c3ccncc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccncc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccncc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/4C45H27N3OS/c1-2-10-29(11-3-1)38-27-39(48-45(47-38)31-13-8-12-30(26-31)28-22-24-46-25-23-28)36-21-20-33(42-37-15-4-6-18-40(37)49-43(36)42)35-17-9-16-34-32-14-5-7-19-41(32)50-44(34)35;1-2-11-29(12-3-1)38-27-39(48-45(47-38)35-15-5-4-13-30(35)28-23-25-46-26-24-28)36-22-21-32(42-37-16-6-8-19-40(37)49-43(36)42)34-18-10-17-33-31-14-7-9-20-41(31)50-44(33)34;1-2-11-29(12-3-1)45-47-38(31-14-5-4-13-30(31)28-23-25-46-26-24-28)27-39(48-45)36-22-21-33(42-37-16-6-8-19-40(37)49-43(36)42)35-18-10-17-34-32-15-7-9-20-41(32)50-44(34)35;1-2-11-29(12-3-1)38-27-39(31-14-5-4-13-30(31)28-23-25-46-26-24-28)48-45(47-38)37-22-21-33(42-36-16-6-8-19-40(36)49-43(37)42)35-18-10-17-34-32-15-7-9-20-41(32)50-44(34)35/h4*1-27H
InChIKeyBQOOOXJLSQSOSA-UHFFFAOYSA-N
MW2631.19 g/mol
LogP49.90
Rot. Bonds20

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

2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine (PubChem CID 157431358) has the molecular formula C180H108N12O4S4 and a molecular weight of 2631.19 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
PubChem CID157431358
Molecular FormulaC180H108N12O4S4
Molecular Weight2631.19 g/mol
Exact Mass2628.75
IUPAC Name2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccccc3-c3ccncc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccncc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccncc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/4C45H27N3OS/c1-2-10-29(11-3-1)38-27-39(48-45(47-38)31-13-8-12-30(26-31)28-22-24-46-25-23-28)36-21-20-33(42-37-15-4-6-18-40(37)49-43(36)42)35-17-9-16-34-32-14-5-7-19-41(32)50-44(34)35;1-2-11-29(12-3-1)38-27-39(48-45(47-38)35-15-5-4-13-30(35)28-23-25-46-26-24-28)36-22-21-32(42-37-16-6-8-19-40(37)49-43(36)42)34-18-10-17-33-31-14-7-9-20-41(31)50-44(33)34;1-2-11-29(12-3-1)45-47-38(31-14-5-4-13-30(31)28-23-25-46-26-24-28)27-39(48-45)36-22-21-33(42-37-16-6-8-19-40(37)49-43(36)42)35-18-10-17-34-32-15-7-9-20-41(32)50-44(34)35;1-2-11-29(12-3-1)38-27-39(31-14-5-4-13-30(31)28-23-25-46-26-24-28)48-45(47-38)37-22-21-33(42-36-16-6-8-19-40(36)49-43(37)42)35-18-10-17-34-32-15-7-9-20-41(32)50-44(34)35/h4*1-27H
InChIKeyBQOOOXJLSQSOSA-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-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-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-[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-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The IUPAC name of 2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine (CID 157431358) is 2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The canonical SMILES for 2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)nc(-c3cccc(-c4ccncc4)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccccc3-c3ccncc3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccncc3)nc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccncc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
The InChIKey is BQOOOXJLSQSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C45H27N3OS/c1-2-10-29(11-3-1)38-27-39(48-45(47-38)31-13-8-12-30(26-31)28-22-24-46-25-23-28)36-21-20-33(42-37-15-4-6-18-40(37)49-43(36)42)35-17-9-16-34-32-14-5-7-19-41(32)50-44(34)35;1-2-11-29(12-3-1)38-27-39(48-45(47-38)35-15-5-4-13-30(35)28-23-25-46-26-24-28)36-22-21-32(42-37-16-6-8-19-40(37)49-43(36)42)34-18-10-17-33-31-14-7-9-20-41(31)50-44(33)34;1-2-11-29(12-3-1)45-47-38(31-14-5-4-13-30(31)28-23-25-46-26-24-28)27-39(48-45)36-22-21-33(42-37-16-6-8-19-40(37)49-43(36)42)35-18-10-17-34-32-15-7-9-20-41(32)50-44(34)35;1-2-11-29(12-3-1)38-27-39(31-14-5-4-13-30(31)28-23-25-46-26-24-28)48-45(47-38)37-22-21-33(42-36-16-6-8-19-40(36)49-43(37)42)35-18-10-17-34-32-15-7-9-20-41(32)50-44(34)35/h4*1-27H.
What are the key properties of 2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine?
2-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-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-4-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-4-ylphenyl)pyrimidine;4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine is sourced from PubChem (CID 157431358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).