4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine

C179H107N13O4S4 — CID 157416021

IUPAC4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccnc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N2OS.C45H27N3OS.2C44H26N4OS/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)46-47-39(31-13-5-2-6-14-31)28-40(48-46)37-26-25-34(44-38-16-7-9-17-41(38)49-45(37)44)33-23-24-36-35-15-8-10-18-42(35)50-43(36)27-33;1-3-11-28(12-4-1)29-19-21-31(22-20-29)44-46-43(30-13-5-2-6-14-30)47-45(48-44)37-26-25-33(41-36-16-7-9-17-38(36)49-42(37)41)32-23-24-35-34-15-8-10-18-39(34)50-40(35)27-32;1-2-10-27(11-3-1)42-46-43(30-13-8-12-28(24-30)31-14-9-23-45-26-31)48-44(47-42)36-22-21-32(40-35-16-4-6-17-37(35)49-41(36)40)29-19-20-34-33-15-5-7-18-38(33)50-39(34)25-29;1-2-11-27(12-3-1)42-46-43(34-16-5-4-14-30(34)29-13-10-24-45-26-29)48-44(47-42)36-23-22-31(40-35-17-6-8-18-37(35)49-41(36)40)28-20-21-33-32-15-7-9-19-38(32)50-39(33)25-28/h1-28H;1-27H;2*1-26H
InChIKeyBOVWQABAVZCXDK-UHFFFAOYSA-N
MW2632.18 g/mol
LogP49.29
Rot. Bonds20

About 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine

4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine (PubChem CID 157416021) has the molecular formula C179H107N13O4S4 and a molecular weight of 2632.18 g/mol. Its IUPAC name is 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
PubChem CID157416021
Molecular FormulaC179H107N13O4S4
Molecular Weight2632.18 g/mol
Exact Mass2629.75
IUPAC Name4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccnc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C46H28N2OS.C45H27N3OS.2C44H26N4OS/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)46-47-39(31-13-5-2-6-14-31)28-40(48-46)37-26-25-34(44-38-16-7-9-17-41(38)49-45(37)44)33-23-24-36-35-15-8-10-18-42(35)50-43(36)27-33;1-3-11-28(12-4-1)29-19-21-31(22-20-29)44-46-43(30-13-5-2-6-14-30)47-45(48-44)37-26-25-33(41-36-16-7-9-17-38(36)49-42(37)41)32-23-24-35-34-15-8-10-18-39(34)50-40(35)27-32;1-2-10-27(11-3-1)42-46-43(30-13-8-12-28(24-30)31-14-9-23-45-26-31)48-44(47-42)36-22-21-32(40-35-16-4-6-17-37(35)49-41(36)40)29-19-20-34-33-15-5-7-18-38(33)50-39(34)25-29;1-2-11-27(12-3-1)42-46-43(34-16-5-4-14-30(34)29-13-10-24-45-26-29)48-44(47-42)36-23-22-31(40-35-17-6-8-18-37(35)49-41(36)40)28-20-21-33-32-15-7-9-19-38(32)50-39(33)25-28/h1-28H;1-27H;2*1-26H
InChIKeyBOVWQABAVZCXDK-UHFFFAOYSA-N
XLogP49.29
TPSA220.13 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds20
Heavy Atoms200
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002632.18
LogP ≤ 549.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine 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 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The IUPAC name of 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine (CID 157416021) is 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine.
What is the SMILES notation for 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The canonical SMILES for 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine is c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4cccnc4)c3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccccc3-c3cccnc3)nc(-c3ccc(-c4ccc5c(c4)sc4ccccc45)c4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine?
The InChIKey is BOVWQABAVZCXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2OS.C45H27N3OS.2C44H26N4OS/c1-3-11-29(12-4-1)30-19-21-32(22-20-30)46-47-39(31-13-5-2-6-14-31)28-40(48-46)37-26-25-34(44-38-16-7-9-17-41(38)49-45(37)44)33-23-24-36-35-15-8-10-18-42(35)50-43(36)27-33;1-3-11-28(12-4-1)29-19-21-31(22-20-29)44-46-43(30-13-5-2-6-14-30)47-45(48-44)37-26-25-33(41-36-16-7-9-17-38(36)49-42(37)41)32-23-24-35-34-15-8-10-18-39(34)50-40(35)27-32;1-2-10-27(11-3-1)42-46-43(30-13-8-12-28(24-30)31-14-9-23-45-26-31)48-44(47-42)36-22-21-32(40-35-16-4-6-17-37(35)49-41(36)40)29-19-20-34-33-15-5-7-18-38(33)50-39(34)25-29;1-2-11-27(12-3-1)42-46-43(34-16-5-4-14-30(34)29-13-10-24-45-26-29)48-44(47-42)36-23-22-31(40-35-17-6-8-18-37(35)49-41(36)40)28-20-21-33-32-15-7-9-19-38(32)50-39(33)25-28/h1-28H;1-27H;2*1-26H.
What are the key properties of 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine?
4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine has a molecular weight of 2632.18 g/mol, XLogP of 49.29, 20 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(2-pyridin-3-ylphenyl)-1,3,5-triazine;2-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-3-ylphenyl)-1,3,5-triazine is sourced from PubChem (CID 157416021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).