4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline

C221H133N13O4S4 — CID 161168870

IUPAC4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5ncccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccnc5ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cnc(-c5ccccc5)nc4)cc3)n2)cc1
InChIInChI=1S/C56H34N4OS.3C55H33N3OS/c1-3-11-37(12-4-1)48-32-49(60-56(59-48)40-25-19-35(20-26-40)42-33-57-55(58-34-42)39-13-5-2-6-14-39)38-23-21-36(22-24-38)44-30-29-43(53-47-16-7-9-17-50(47)61-54(44)53)41-27-28-46-45-15-8-10-18-51(45)62-52(46)31-41;1-2-10-36(11-3-1)48-33-49(58-55(57-48)38-24-20-34(21-25-38)40-30-31-56-47-15-7-4-12-43(40)47)37-22-18-35(19-23-37)42-29-28-41(53-46-14-5-8-16-50(46)59-54(42)53)39-26-27-45-44-13-6-9-17-51(44)60-52(45)32-39;1-2-10-36(11-3-1)47-33-48(58-55(57-47)39-25-21-34(22-26-39)42-16-8-12-38-13-9-31-56-53(38)42)37-23-19-35(20-24-37)43-30-29-41(52-46-15-4-6-17-49(46)59-54(43)52)40-27-28-45-44-14-5-7-18-50(44)60-51(45)32-40;1-2-10-36(11-3-1)48-33-49(58-55(57-48)38-25-21-34(22-26-38)40-14-8-16-47-43(40)15-9-31-56-47)37-23-19-35(20-24-37)42-30-29-41(53-46-13-4-6-17-50(46)59-54(42)53)39-27-28-45-44-12-5-7-18-51(44)60-52(45)32-39/h1-34H;3*1-33H
InChIKeyUQXLCXRXYRNXAL-UHFFFAOYSA-N
MW3162.85 g/mol
LogP61.09
Rot. Bonds25

About 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline

4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline (PubChem CID 161168870) has the molecular formula C221H133N13O4S4 and a molecular weight of 3162.85 g/mol. Its IUPAC name is 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
PubChem CID161168870
Molecular FormulaC221H133N13O4S4
Molecular Weight3162.85 g/mol
Exact Mass3159.95
IUPAC Name4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5ncccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccnc5ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cnc(-c5ccccc5)nc4)cc3)n2)cc1
InChIInChI=1S/C56H34N4OS.3C55H33N3OS/c1-3-11-37(12-4-1)48-32-49(60-56(59-48)40-25-19-35(20-26-40)42-33-57-55(58-34-42)39-13-5-2-6-14-39)38-23-21-36(22-24-38)44-30-29-43(53-47-16-7-9-17-50(47)61-54(44)53)41-27-28-46-45-15-8-10-18-51(45)62-52(46)31-41;1-2-10-36(11-3-1)48-33-49(58-55(57-48)38-24-20-34(21-25-38)40-30-31-56-47-15-7-4-12-43(40)47)37-22-18-35(19-23-37)42-29-28-41(53-46-14-5-8-16-50(46)59-54(42)53)39-26-27-45-44-13-6-9-17-51(44)60-52(45)32-39;1-2-10-36(11-3-1)47-33-48(58-55(57-47)39-25-21-34(22-26-39)42-16-8-12-38-13-9-31-56-53(38)42)37-23-19-35(20-24-37)43-30-29-41(52-46-15-4-6-17-49(46)59-54(43)52)40-27-28-45-44-14-5-7-18-50(44)60-51(45)32-40;1-2-10-36(11-3-1)48-33-49(58-55(57-48)38-25-21-34(22-26-38)40-14-8-16-47-43(40)15-9-31-56-47)37-23-19-35(20-24-37)42-30-29-41(53-46-13-4-6-17-50(46)59-54(42)53)39-27-28-45-44-12-5-7-18-51(44)60-52(45)32-39/h1-34H;3*1-33H
InChIKeyUQXLCXRXYRNXAL-UHFFFAOYSA-N
XLogP61.09
TPSA220.13 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds25
Heavy Atoms242
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003162.85
LogP ≤ 561.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline with MolForge

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Related Compounds

4-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine
CID 155078439
4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078604
4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-pyridin-3-ylphenyl)phenyl]pyrimidine
CID 155079275
5-[4-[4-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155079173
2-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155078403
4-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-6-phenyl-2-(3-pyridin-2-ylphenyl)pyrimidine
CID 155078995
2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-(4-dibenzothiophen-4-yldibenzofuran-1-yl)-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;8-[4-[4-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 159172438
2-[4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 160600611
5-[4-[4-(4-dibenzofuran-1-yldibenzofuran-1-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155077896
5-[4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenylpyrimidin-2-yl]phenyl]quinoline
CID 155078142
4-(4-dibenzothiophen-3-yldibenzofuran-1-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078866
4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 158120432

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline?
The IUPAC name of 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline (CID 161168870) is 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline.
What is the SMILES notation for 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline?
The canonical SMILES for 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline is c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5cccnc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cccc5ncccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4ccnc5ccccc45)cc3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ccc(-c5ccc6c(c5)sc5ccccc56)c5c4oc4ccccc45)cc3)nc(-c3ccc(-c4cnc(-c5ccccc5)nc4)cc3)n2)cc1.
What is the InChIKey of 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline?
The InChIKey is UQXLCXRXYRNXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N4OS.3C55H33N3OS/c1-3-11-37(12-4-1)48-32-49(60-56(59-48)40-25-19-35(20-26-40)42-33-57-55(58-34-42)39-13-5-2-6-14-39)38-23-21-36(22-24-38)44-30-29-43(53-47-16-7-9-17-50(47)61-54(44)53)41-27-28-46-45-15-8-10-18-51(45)62-52(46)31-41;1-2-10-36(11-3-1)48-33-49(58-55(57-48)38-24-20-34(21-25-38)40-30-31-56-47-15-7-4-12-43(40)47)37-22-18-35(19-23-37)42-29-28-41(53-46-14-5-8-16-50(46)59-54(42)53)39-26-27-45-44-13-6-9-17-51(44)60-52(45)32-39;1-2-10-36(11-3-1)47-33-48(58-55(57-47)39-25-21-34(22-26-39)42-16-8-12-38-13-9-31-56-53(38)42)37-23-19-35(20-24-37)43-30-29-41(52-46-15-4-6-17-49(46)59-54(43)52)40-27-28-45-44-14-5-7-18-50(44)60-51(45)32-40;1-2-10-36(11-3-1)48-33-49(58-55(57-48)38-25-21-34(22-26-38)40-14-8-16-47-43(40)15-9-31-56-47)37-23-19-35(20-24-37)42-30-29-41(53-46-13-4-6-17-50(46)59-54(42)53)39-27-28-45-44-12-5-7-18-51(44)60-52(45)32-39/h1-34H;3*1-33H.
What are the key properties of 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline?
4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline has a molecular weight of 3162.85 g/mol, XLogP of 61.09, 25 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-[4-(2-phenylpyrimidin-5-yl)phenyl]pyrimidine;4-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;5-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline;8-[4-[4-[4-(1-dibenzothiophen-3-yldibenzofuran-4-yl)phenyl]-6-phenylpyrimidin-2-yl]phenyl]quinoline is sourced from PubChem (CID 161168870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).