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

C181H109N11O4S4 — CID 157425671

IUPAC2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccccc3-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N2OS.3C45H27N3OS/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)40-28-39(31-13-5-2-6-14-31)47-46(48-40)38-26-25-34(44-37-16-7-9-17-41(37)49-45(38)44)33-23-24-36-35-15-8-10-18-42(35)50-43(36)27-33;1-2-12-28(13-3-1)38-27-39(48-45(47-38)34-16-5-4-14-31(34)37-18-10-11-25-46-37)35-24-23-30(43-36-17-6-8-19-40(36)49-44(35)43)29-21-22-33-32-15-7-9-20-41(32)50-42(33)26-29;1-2-12-28(13-3-1)45-47-38(32-15-5-4-14-31(32)37-18-10-11-25-46-37)27-39(48-45)35-24-23-30(43-36-17-6-8-19-40(36)49-44(35)43)29-21-22-34-33-16-7-9-20-41(33)50-42(34)26-29;1-2-12-28(13-3-1)38-27-39(32-15-5-4-14-31(32)37-18-10-11-25-46-37)48-45(47-38)36-24-23-30(43-35-17-6-8-19-40(35)49-44(36)43)29-21-22-34-33-16-7-9-20-41(33)50-42(34)26-29/h1-28H;3*1-27H
InChIKeyBPXUHKMLSQSLKZ-UHFFFAOYSA-N
MW2630.20 g/mol
LogP50.50
Rot. Bonds20

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

2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine (PubChem CID 157425671) has the molecular formula C181H109N11O4S4 and a molecular weight of 2630.20 g/mol. Its IUPAC name is 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
PubChem CID157425671
Molecular FormulaC181H109N11O4S4
Molecular Weight2630.20 g/mol
Exact Mass2627.75
IUPAC Name2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccccc3-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N2OS.3C45H27N3OS/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)40-28-39(31-13-5-2-6-14-31)47-46(48-40)38-26-25-34(44-37-16-7-9-17-41(37)49-45(38)44)33-23-24-36-35-15-8-10-18-42(35)50-43(36)27-33;1-2-12-28(13-3-1)38-27-39(48-45(47-38)34-16-5-4-14-31(34)37-18-10-11-25-46-37)35-24-23-30(43-36-17-6-8-19-40(36)49-44(35)43)29-21-22-33-32-15-7-9-20-41(32)50-42(33)26-29;1-2-12-28(13-3-1)45-47-38(32-15-5-4-14-31(32)37-18-10-11-25-46-37)27-39(48-45)35-24-23-30(43-36-17-6-8-19-40(36)49-44(35)43)29-21-22-34-33-16-7-9-20-41(33)50-42(34)26-29;1-2-12-28(13-3-1)38-27-39(32-15-5-4-14-31(32)37-18-10-11-25-46-37)48-45(47-38)36-24-23-30(43-35-17-6-8-19-40(35)49-44(36)43)29-21-22-34-33-16-7-9-20-41(33)50-42(34)26-29/h1-28H;3*1-27H
InChIKeyBPXUHKMLSQSLKZ-UHFFFAOYSA-N
XLogP50.50
TPSA194.35 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002630.20
LogP ≤ 550.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-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 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine (CID 157425671) is 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)nc(-c3ccccc3-c3ccccn3)n2)cc1.c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3ccccc3-c3ccccn3)cc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is BPXUHKMLSQSLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS.3C45H27N3OS/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)40-28-39(31-13-5-2-6-14-31)47-46(48-40)38-26-25-34(44-37-16-7-9-17-41(37)49-45(38)44)33-23-24-36-35-15-8-10-18-42(35)50-43(36)27-33;1-2-12-28(13-3-1)38-27-39(48-45(47-38)34-16-5-4-14-31(34)37-18-10-11-25-46-37)35-24-23-30(43-36-17-6-8-19-40(36)49-44(35)43)29-21-22-33-32-15-7-9-20-41(32)50-42(33)26-29;1-2-12-28(13-3-1)45-47-38(32-15-5-4-14-31(32)37-18-10-11-25-46-37)27-39(48-45)35-24-23-30(43-36-17-6-8-19-40(36)49-44(35)43)29-21-22-34-33-16-7-9-20-41(33)50-42(34)26-29;1-2-12-28(13-3-1)38-27-39(32-15-5-4-14-31(32)37-18-10-11-25-46-37)48-45(47-38)36-24-23-30(43-35-17-6-8-19-40(35)49-44(36)43)29-21-22-34-33-16-7-9-20-41(33)50-42(34)26-29/h1-28H;3*1-27H.
What are the key properties of 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine?
2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 2630.20 g/mol, XLogP of 50.50, 20 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 157425671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).