2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline

C366H210N22S12 — CID 158302428

IUPAC2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cc(-c6cccc7c6sc6ccccc67)ccc5-c5cccc6c5sc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8ccc9sc%10ccccc%10c9c8)ccc8ccc5c6c87)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8cccc9c8sc8ccccc89)ccc8ccc5c6c87)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6sc7ccc(-c8ccc9ccc%10ccc(-c%11ccccc%11)nc%10c9n8)cc7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4sc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c4c3)nc12
InChIInChI=1S/C58H34N4S2.C48H28N4S.C48H28N2S2.2C46H26N2S.2C42H24N2S2.C36H20N4S/c1-2-11-39(12-3-1)58-61-50(36-24-22-35(23-25-36)49-29-28-38-27-26-37-13-10-30-59-54(37)55(38)60-49)34-51(62-58)42-32-40(43-16-8-18-47-45-14-4-6-20-52(45)63-56(43)47)31-41(33-42)44-17-9-19-48-46-15-5-7-21-53(46)64-57(44)48;1-3-7-29(8-4-1)39-21-15-31-11-13-33-17-23-41(51-47(33)45(31)49-39)35-19-25-43-37(27-35)38-28-36(20-26-44(38)53-43)42-24-18-34-14-12-32-16-22-40(30-9-5-2-6-10-30)50-46(32)48(34)52-42;1-2-10-29(11-3-1)41-26-23-30-20-21-31-24-27-42(50-46(31)45(30)49-41)40-28-32(33-14-8-16-38-35-12-4-6-18-43(35)51-47(33)38)22-25-34(40)37-15-9-17-39-36-13-5-7-19-44(36)52-48(37)39;1-2-7-27(8-3-1)39-25-19-30-13-14-31-20-26-40(48-45(31)44(30)47-39)33-22-16-29-17-23-35-32(21-15-28-18-24-36(33)43(29)42(28)35)37-10-6-11-38-34-9-4-5-12-41(34)49-46(37)38;1-2-6-27(7-3-1)39-23-16-30-10-11-31-17-24-40(48-46(31)45(30)47-39)34-20-13-29-14-21-36-33(19-12-28-15-22-37(34)44(29)43(28)36)32-18-25-42-38(26-32)35-8-4-5-9-41(35)49-42;1-3-15-37-32(9-1)34-13-5-11-30(41(34)45-37)27-22-28(31-12-6-14-35-33-10-2-4-16-38(33)46-42(31)35)24-29(23-27)36-20-19-26-18-17-25-8-7-21-43-39(25)40(26)44-36;1-3-9-37-32(7-1)34-23-27(14-17-39(34)45-37)29-20-30(28-15-18-40-35(24-28)33-8-2-4-10-38(33)46-40)22-31(21-29)36-16-13-26-12-11-25-6-5-19-43-41(25)42(26)44-36;1-3-21-5-7-23-9-13-29(39-35(23)33(21)37-17-1)25-11-15-31-27(19-25)28-20-26(12-16-32(28)41-31)30-14-10-24-8-6-22-4-2-18-38-34(22)36(24)40-30/h1-34H;1-28H;1-28H;2*1-26H;2*1-24H;1-20H
InChIKeyGMQTXECNBYLAJN-UHFFFAOYSA-N
MW5300.66 g/mol
LogP104.13
Rot. Bonds28

About 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline

2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline (PubChem CID 158302428) has the molecular formula C366H210N22S12 and a molecular weight of 5300.66 g/mol. Its IUPAC name is 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline.

Molecular Properties

Compound Name2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline
PubChem CID158302428
Molecular FormulaC366H210N22S12
Molecular Weight5300.66 g/mol
Exact Mass5295.38
IUPAC Name2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline
SMILESc1ccc(-c2ccc3ccc4ccc(-c5cc(-c6cccc7c6sc6ccccc67)ccc5-c5cccc6c5sc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8ccc9sc%10ccccc%10c9c8)ccc8ccc5c6c87)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8cccc9c8sc8ccccc89)ccc8ccc5c6c87)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6sc7ccc(-c8ccc9ccc%10ccc(-c%11ccccc%11)nc%10c9n8)cc7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4sc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c4c3)nc12
InChIInChI=1S/C58H34N4S2.C48H28N4S.C48H28N2S2.2C46H26N2S.2C42H24N2S2.C36H20N4S/c1-2-11-39(12-3-1)58-61-50(36-24-22-35(23-25-36)49-29-28-38-27-26-37-13-10-30-59-54(37)55(38)60-49)34-51(62-58)42-32-40(43-16-8-18-47-45-14-4-6-20-52(45)63-56(43)47)31-41(33-42)44-17-9-19-48-46-15-5-7-21-53(46)64-57(44)48;1-3-7-29(8-4-1)39-21-15-31-11-13-33-17-23-41(51-47(33)45(31)49-39)35-19-25-43-37(27-35)38-28-36(20-26-44(38)53-43)42-24-18-34-14-12-32-16-22-40(30-9-5-2-6-10-30)50-46(32)48(34)52-42;1-2-10-29(11-3-1)41-26-23-30-20-21-31-24-27-42(50-46(31)45(30)49-41)40-28-32(33-14-8-16-38-35-12-4-6-18-43(35)51-47(33)38)22-25-34(40)37-15-9-17-39-36-13-5-7-19-44(36)52-48(37)39;1-2-7-27(8-3-1)39-25-19-30-13-14-31-20-26-40(48-45(31)44(30)47-39)33-22-16-29-17-23-35-32(21-15-28-18-24-36(33)43(29)42(28)35)37-10-6-11-38-34-9-4-5-12-41(34)49-46(37)38;1-2-6-27(7-3-1)39-23-16-30-10-11-31-17-24-40(48-46(31)45(30)47-39)34-20-13-29-14-21-36-33(19-12-28-15-22-37(34)44(29)43(28)36)32-18-25-42-38(26-32)35-8-4-5-9-41(35)49-42;1-3-15-37-32(9-1)34-13-5-11-30(41(34)45-37)27-22-28(31-12-6-14-35-33-10-2-4-16-38(33)46-42(31)35)24-29(23-27)36-20-19-26-18-17-25-8-7-21-43-39(25)40(26)44-36;1-3-9-37-32(7-1)34-23-27(14-17-39(34)45-37)29-20-30(28-15-18-40-35(24-28)33-8-2-4-10-38(33)46-40)22-31(21-29)36-16-13-26-12-11-25-6-5-19-43-41(25)42(26)44-36;1-3-21-5-7-23-9-13-29(39-35(23)33(21)37-17-1)25-11-15-31-27(19-25)28-20-26(12-16-32(28)41-31)30-14-10-24-8-6-22-4-2-18-38-34(22)36(24)40-30/h1-34H;1-28H;1-28H;2*1-26H;2*1-24H;1-20H
InChIKeyGMQTXECNBYLAJN-UHFFFAOYSA-N
XLogP104.13
TPSA283.58 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms400
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005300.66
LogP ≤ 5104.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline with MolForge

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Related Compounds

2-[3-[6-(4-dibenzothiophen-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline
CID 90050125
4-[3-dibenzothiophen-4-yl-5-[2-[3-[6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-4-yl]phenyl]-2,6-diphenylpyrimidine
CID 137465827
bis(2-(3-dibenzothiophen-2-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline);2-(3-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-9-naphthalen-1-yl-1,10-phenanthroline;2-(2-dibenzothiophen-3-ylphenyl)-9-phenyl-1,10-phenanthroline;2-(2-dibenzothiophen-4-ylphenyl)-9-phenyl-1,10-phenanthroline
CID 160863182
2-[3-dibenzothiophen-1-yl-5-[4-(4-dibenzothiophen-2-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-1,10-phenanthroline
CID 154954908
2-[3-dibenzothiophen-2-yl-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,10-phenanthroline
CID 154954847
4-[4-[8-[8-[3-dibenzothiophen-2-yl-5-[6-(4-dibenzothiophen-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzothiophen-3-yl]dibenzothiophen-4-yl]phenyl]-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine
CID 137465889
2-[3-[6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-(6-dibenzofuran-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzofuran-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzofuran-2-yl]-1,10-phenanthroline
CID 157402932
2-(3-dibenzothiophen-2-ylphenyl)-9-fluoranthen-3-yl-1,10-phenanthroline
CID 90050017
2-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-4-phenyl-1,10-phenanthroline
CID 154954930
4-dibenzothiophen-2-yl-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[2,5-di(dibenzothiophen-2-yl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine;4-[2,5-di(dibenzothiophen-4-yl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine;4-[2,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[2,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 157427530
2-dibenzothiophen-2-yl-4-(3-dibenzothiophen-4-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171583300
2-[3-dibenzothiophen-4-yl-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-1,10-phenanthroline
CID 154954934

Frequently Asked Questions

What is the IUPAC name of 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline?
The IUPAC name of 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline (CID 158302428) is 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline.
What is the SMILES notation for 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline?
The canonical SMILES for 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline is c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6cccc7c6sc6ccccc67)ccc5-c5cccc6c5sc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8ccc9sc%10ccccc%10c9c8)ccc8ccc5c6c87)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6ccc7c(-c8cccc9c8sc8ccccc89)ccc8ccc5c6c87)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc6sc7ccc(-c8ccc9ccc%10ccc(-c%11ccccc%11)nc%10c9n8)cc7c6c5)nc4c3n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)n2)cc1.c1cnc2c(c1)ccc1ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3ccc4sc5ccc(-c6ccc7ccc8cccnc8c7n6)cc5c4c3)nc12.
What is the InChIKey of 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline?
The InChIKey is GMQTXECNBYLAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H34N4S2.C48H28N4S.C48H28N2S2.2C46H26N2S.2C42H24N2S2.C36H20N4S/c1-2-11-39(12-3-1)58-61-50(36-24-22-35(23-25-36)49-29-28-38-27-26-37-13-10-30-59-54(37)55(38)60-49)34-51(62-58)42-32-40(43-16-8-18-47-45-14-4-6-20-52(45)63-56(43)47)31-41(33-42)44-17-9-19-48-46-15-5-7-21-53(46)64-57(44)48;1-3-7-29(8-4-1)39-21-15-31-11-13-33-17-23-41(51-47(33)45(31)49-39)35-19-25-43-37(27-35)38-28-36(20-26-44(38)53-43)42-24-18-34-14-12-32-16-22-40(30-9-5-2-6-10-30)50-46(32)48(34)52-42;1-2-10-29(11-3-1)41-26-23-30-20-21-31-24-27-42(50-46(31)45(30)49-41)40-28-32(33-14-8-16-38-35-12-4-6-18-43(35)51-47(33)38)22-25-34(40)37-15-9-17-39-36-13-5-7-19-44(36)52-48(37)39;1-2-7-27(8-3-1)39-25-19-30-13-14-31-20-26-40(48-45(31)44(30)47-39)33-22-16-29-17-23-35-32(21-15-28-18-24-36(33)43(29)42(28)35)37-10-6-11-38-34-9-4-5-12-41(34)49-46(37)38;1-2-6-27(7-3-1)39-23-16-30-10-11-31-17-24-40(48-46(31)45(30)47-39)34-20-13-29-14-21-36-33(19-12-28-15-22-37(34)44(29)43(28)36)32-18-25-42-38(26-32)35-8-4-5-9-41(35)49-42;1-3-15-37-32(9-1)34-13-5-11-30(41(34)45-37)27-22-28(31-12-6-14-35-33-10-2-4-16-38(33)46-42(31)35)24-29(23-27)36-20-19-26-18-17-25-8-7-21-43-39(25)40(26)44-36;1-3-9-37-32(7-1)34-23-27(14-17-39(34)45-37)29-20-30(28-15-18-40-35(24-28)33-8-2-4-10-38(33)46-40)22-31(21-29)36-16-13-26-12-11-25-6-5-19-43-41(25)42(26)44-36;1-3-21-5-7-23-9-13-29(39-35(23)33(21)37-17-1)25-11-15-31-27(19-25)28-20-26(12-16-32(28)41-31)30-14-10-24-8-6-22-4-2-18-38-34(22)36(24)40-30/h1-34H;1-28H;1-28H;2*1-26H;2*1-24H;1-20H.
What are the key properties of 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline?
2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline has a molecular weight of 5300.66 g/mol, XLogP of 104.13, 28 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-dibenzothiophen-2-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-(6-dibenzothiophen-4-ylpyren-1-yl)-9-phenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzothiophen-4-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[4-[6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,10-phenanthroline;2-[8-(1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline;2-phenyl-9-[8-(9-phenyl-1,10-phenanthrolin-2-yl)dibenzothiophen-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 158302428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).