6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline

C139H81N9O2S4 — CID 163547269

IUPAC6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H31N3S2.2C43H25N3OS/c1-2-13-34(14-3-1)53-55-45(32-25-27-33(28-26-32)50-49-43-19-8-11-24-48(43)58-52(49)42-18-6-9-22-44(42)54-50)31-46(56-53)38-30-29-37(35-15-4-5-16-36(35)38)40-20-12-21-41-39-17-7-10-23-47(39)57-51(40)41;1-2-11-28(12-3-1)43-45-35(25-36(46-43)31-17-10-16-30-29-13-5-8-19-37(29)47-41(30)31)26-21-23-27(24-22-26)40-39-33-15-6-9-20-38(33)48-42(39)32-14-4-7-18-34(32)44-40;1-2-11-26(12-3-1)35-25-36(46-43(45-35)33-17-10-16-30-29-13-5-8-19-37(29)47-41(30)33)27-21-23-28(24-22-27)40-39-32-15-6-9-20-38(32)48-42(39)31-14-4-7-18-34(31)44-40/h1-31H;2*1-25H
InChIKeyFGCSYTAWOAPECU-UHFFFAOYSA-N
MW2037.51 g/mol
LogP39.17
Rot. Bonds13

About 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline

6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline (PubChem CID 163547269) has the molecular formula C139H81N9O2S4 and a molecular weight of 2037.51 g/mol. Its IUPAC name is 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline.

Molecular Properties

Compound Name6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
PubChem CID163547269
Molecular FormulaC139H81N9O2S4
Molecular Weight2037.51 g/mol
Exact Mass2035.54
IUPAC Name6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
SMILESc1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)cc(-c3cccc4c3oc3ccccc34)n2)cc1
InChIInChI=1S/C53H31N3S2.2C43H25N3OS/c1-2-13-34(14-3-1)53-55-45(32-25-27-33(28-26-32)50-49-43-19-8-11-24-48(43)58-52(49)42-18-6-9-22-44(42)54-50)31-46(56-53)38-30-29-37(35-15-4-5-16-36(35)38)40-20-12-21-41-39-17-7-10-23-47(39)57-51(40)41;1-2-11-28(12-3-1)43-45-35(25-36(46-43)31-17-10-16-30-29-13-5-8-19-37(29)47-41(30)31)26-21-23-27(24-22-26)40-39-33-15-6-9-20-38(33)48-42(39)32-14-4-7-18-34(32)44-40;1-2-11-26(12-3-1)35-25-36(46-43(45-35)33-17-10-16-30-29-13-5-8-19-37(29)47-41(30)33)27-21-23-28(24-22-27)40-39-32-15-6-9-20-38(32)48-42(39)31-14-4-7-18-34(31)44-40/h1-31H;2*1-25H
InChIKeyFGCSYTAWOAPECU-UHFFFAOYSA-N
XLogP39.17
TPSA142.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms154
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002037.51
LogP ≤ 539.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Analyze 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline with MolForge

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Related Compounds

6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 163547271
3-[4-(4-dibenzofuran-4-ylphenyl)-6-phenylpyrimidin-2-yl]-6-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 158635809
6-[4-[6-(3-dibenzothiophen-4-ylnaphthalen-2-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
CID 163516830
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenyl-[1]benzofuro[3,2-c]quinoline;6-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline;6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-3-phenyl-[1]benzothiolo[3,2-c]quinoline
CID 160798448
6-[4-[4-(3-dibenzothiophen-4-ylphenyl)-6-phenylpyrimidin-2-yl]phenyl]-1-phenyl-[1]benzofuro[2,3-c]quinoline
CID 158269231
3-dibenzofuran-4-yl-6-[4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-[1]benzothiolo[2,3-c]quinoline
CID 159421645
2-dibenzofuran-4-yl-4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-1,3,5-triazine
CID 155077964
6-[3-(6-dibenzothiophen-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzofuro[3,2-c]quinoline
CID 163862340
2-[4-(1-dibenzothiophen-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155079373
4-[3-(2-dibenzofuran-4-ylphenyl)-5-dibenzothiophen-4-ylphenyl]-2,6-diphenylpyrimidine
CID 171582779
6-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086546
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline?
The IUPAC name of 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline (CID 163547269) is 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline.
What is the SMILES notation for 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline?
The canonical SMILES for 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)nc(-c3cccc4c3oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)cc(-c3ccc(-c4cccc5c4sc4ccccc45)c4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5ccccc5c5sc6ccccc6c45)cc3)cc(-c3cccc4c3oc3ccccc34)n2)cc1.
What is the InChIKey of 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline?
The InChIKey is FGCSYTAWOAPECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H31N3S2.2C43H25N3OS/c1-2-13-34(14-3-1)53-55-45(32-25-27-33(28-26-32)50-49-43-19-8-11-24-48(43)58-52(49)42-18-6-9-22-44(42)54-50)31-46(56-53)38-30-29-37(35-15-4-5-16-36(35)38)40-20-12-21-41-39-17-7-10-23-47(39)57-51(40)41;1-2-11-28(12-3-1)43-45-35(25-36(46-43)31-17-10-16-30-29-13-5-8-19-37(29)47-41(30)31)26-21-23-27(24-22-26)40-39-33-15-6-9-20-38(33)48-42(39)32-14-4-7-18-34(32)44-40;1-2-11-26(12-3-1)35-25-36(46-43(45-35)33-17-10-16-30-29-13-5-8-19-37(29)47-41(30)33)27-21-23-28(24-22-27)40-39-32-15-6-9-20-38(32)48-42(39)31-14-4-7-18-34(31)44-40/h1-31H;2*1-25H.
What are the key properties of 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline?
6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline has a molecular weight of 2037.51 g/mol, XLogP of 39.17, 13 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-dibenzofuran-4-yl-6-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-(6-dibenzofuran-4-yl-2-phenylpyrimidin-4-yl)phenyl]-[1]benzothiolo[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline is sourced from PubChem (CID 163547269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).