2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline

C328H188F16N16S10 — CID 159348167

IUPAC2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
SMILESFC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc12.FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc12.Fc1c(F)c2ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc2c2ncccc12.Fc1c(F)c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc2c2ncccc12.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)nc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc23)cc1
InChIInChI=1S/2C48H30N2S.2C42H22F2N2S2.2C42H26N2S.2C32H16F6N2S/c1-4-13-31(14-5-1)41-29-43(34-17-8-3-9-18-34)49-46-38(41)27-28-39-42(32-15-6-2-7-16-32)30-44(50-47(39)46)35-25-23-33(24-26-35)36-20-12-21-40-37-19-10-11-22-45(37)51-48(36)40;1-4-12-32(13-5-1)40-29-43(34-16-8-3-9-17-34)49-47-38(40)25-26-39-41(33-14-6-2-7-15-33)30-44(50-48(39)47)35-22-20-31(21-23-35)36-24-27-46-42(28-36)37-18-10-11-19-45(37)51-46;43-37-32-14-7-19-45-39(32)40-33(38(37)44)17-18-34(46-40)25-21-23(26-10-5-12-30-28-8-1-3-15-35(28)47-41(26)30)20-24(22-25)27-11-6-13-31-29-9-2-4-16-36(29)48-42(27)31;43-39-30-8-5-17-45-41(30)42-31(40(39)44)13-14-34(46-42)27-19-25(23-11-15-37-32(21-23)28-6-1-3-9-35(28)47-37)18-26(20-27)24-12-16-38-33(22-24)29-7-2-4-10-36(29)48-38;1-3-10-27(11-4-1)31-24-25-43-40-34(31)22-23-35-37(28-12-5-2-6-13-28)26-38(44-41(35)40)30-20-18-29(19-21-30)32-15-9-16-36-33-14-7-8-17-39(33)45-42(32)36;1-3-9-28(10-4-1)32-23-24-43-41-34(32)20-21-35-36(29-11-5-2-6-12-29)26-38(44-42(35)41)30-17-15-27(16-18-30)31-19-22-40-37(25-31)33-13-7-8-14-39(33)45-40;33-31(34,35)24-14-15-39-28-22(24)12-13-23-25(32(36,37)38)16-26(40-29(23)28)18-10-8-17(9-11-18)19-5-3-6-21-20-4-1-2-7-27(20)41-30(19)21;33-31(34,35)24-13-14-39-29-21(24)10-11-22-25(32(36,37)38)16-26(40-30(22)29)18-7-5-17(6-8-18)19-9-12-28-23(15-19)20-3-1-2-4-27(20)41-28/h2*1-30H;2*1-22H;2*1-26H;2*1-16H
InChIKeyLGZIQJQUFVTLJY-UHFFFAOYSA-N
MW4977.86 g/mol
LogP97.25
Rot. Bonds28

About 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline

2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline (PubChem CID 159348167) has the molecular formula C328H188F16N16S10 and a molecular weight of 4977.86 g/mol. Its IUPAC name is 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
PubChem CID159348167
Molecular FormulaC328H188F16N16S10
Molecular Weight4977.86 g/mol
Exact Mass4973.22
IUPAC Name2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
SMILESFC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc12.FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc12.Fc1c(F)c2ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc2c2ncccc12.Fc1c(F)c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc2c2ncccc12.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)nc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc23)cc1
InChIInChI=1S/2C48H30N2S.2C42H22F2N2S2.2C42H26N2S.2C32H16F6N2S/c1-4-13-31(14-5-1)41-29-43(34-17-8-3-9-18-34)49-46-38(41)27-28-39-42(32-15-6-2-7-16-32)30-44(50-47(39)46)35-25-23-33(24-26-35)36-20-12-21-40-37-19-10-11-22-45(37)51-48(36)40;1-4-12-32(13-5-1)40-29-43(34-16-8-3-9-17-34)49-47-38(40)25-26-39-41(33-14-6-2-7-15-33)30-44(50-48(39)47)35-22-20-31(21-23-35)36-24-27-46-42(28-36)37-18-10-11-19-45(37)51-46;43-37-32-14-7-19-45-39(32)40-33(38(37)44)17-18-34(46-40)25-21-23(26-10-5-12-30-28-8-1-3-15-35(28)47-41(26)30)20-24(22-25)27-11-6-13-31-29-9-2-4-16-36(29)48-42(27)31;43-39-30-8-5-17-45-41(30)42-31(40(39)44)13-14-34(46-42)27-19-25(23-11-15-37-32(21-23)28-6-1-3-9-35(28)47-37)18-26(20-27)24-12-16-38-33(22-24)29-7-2-4-10-36(29)48-38;1-3-10-27(11-4-1)31-24-25-43-40-34(31)22-23-35-37(28-12-5-2-6-13-28)26-38(44-41(35)40)30-20-18-29(19-21-30)32-15-9-16-36-33-14-7-8-17-39(33)45-42(32)36;1-3-9-28(10-4-1)32-23-24-43-41-34(32)20-21-35-36(29-11-5-2-6-12-29)26-38(44-42(35)41)30-17-15-27(16-18-30)31-19-22-40-37(25-31)33-13-7-8-14-39(33)45-40;33-31(34,35)24-14-15-39-28-22(24)12-13-23-25(32(36,37)38)16-26(40-29(23)28)18-10-8-17(9-11-18)19-5-3-6-21-20-4-1-2-7-27(20)41-30(19)21;33-31(34,35)24-13-14-39-29-21(24)10-11-22-25(32(36,37)38)16-26(40-30(22)29)18-7-5-17(6-8-18)19-9-12-28-23(15-19)20-3-1-2-4-27(20)41-28/h2*1-30H;2*1-22H;2*1-26H;2*1-16H
InChIKeyLGZIQJQUFVTLJY-UHFFFAOYSA-N
XLogP97.25
TPSA206.24 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms370
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004977.86
LogP ≤ 597.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline with MolForge

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Related Compounds

Bis(phenanthrolinylthienyl)-hexafluorocyclopentene
CID 129856472
2-(4-Dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90050098
2-(4-Dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90050102
2-[3,5-Di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90050104
2-[3,5-Di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90050108
7-[6-[7-[2-(1,10-Phenanthrolin-2-yl)ethynyl]dibenzothiophen-3-yl]triphenylen-1-yl]-2-(1,3,4,5,6,7,8,9,10,11,12-undecafluorotriphenylen-2-yl)-1,10-phenanthroline
CID 129174852
3,8-Di(dibenzothiophen-4-yl)-5,6-difluoro-1,10-phenanthroline
CID 134167033
8-[4-(9-Phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-(trifluoromethyl)-[1]benzothiolo[3,2-b]pyridine
CID 134171243
3,8-Bis(5,5-dimethyldibenzothiophen-2-yl)-5,6-difluoro-1,10-phenanthroline
CID 134411569
2-[3-(5a-methyl-9aH-dibenzothiophen-4-yl)-5-dibenzothiophen-4-ylphenyl]-5,6-difluoro-1,10-phenanthroline
CID 134446129
3-[3-[4-[2-[5-[3,5-Di(quinolin-3-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-3-ylphenyl]quinoline
CID 141681574
1-[3-[4-[2-[5-[3,5-Di(isoquinolin-1-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-isoquinolin-1-ylphenyl]isoquinoline;3-[3-[4-[2-[5-(3,5-dipyridin-3-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-pyridin-3-ylphenyl]pyridine;2-[3-[4-[2-[5-[3,5-di(quinolin-2-yl)phenyl]-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]-5-quinolin-2-ylphenyl]quinoline
CID 157202562

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline?
The IUPAC name of 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline (CID 159348167) is 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline.
What is the SMILES notation for 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline?
The canonical SMILES for 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline is FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)nc12.FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc12.Fc1c(F)c2ccc(-c3cc(-c4ccc5sc6ccccc6c5c4)cc(-c4ccc5sc6ccccc6c5c4)c3)nc2c2ncccc12.Fc1c(F)c2ccc(-c3cc(-c4cccc5c4sc4ccccc45)cc(-c4cccc5c4sc4ccccc45)c3)nc2c2ncccc12.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5ccc6sc7ccccc7c6c5)cc4)nc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc23)cc1.
What is the InChIKey of 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline?
The InChIKey is LGZIQJQUFVTLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N2S.2C42H22F2N2S2.2C42H26N2S.2C32H16F6N2S/c1-4-13-31(14-5-1)41-29-43(34-17-8-3-9-18-34)49-46-38(41)27-28-39-42(32-15-6-2-7-16-32)30-44(50-47(39)46)35-25-23-33(24-26-35)36-20-12-21-40-37-19-10-11-22-45(37)51-48(36)40;1-4-12-32(13-5-1)40-29-43(34-16-8-3-9-17-34)49-47-38(40)25-26-39-41(33-14-6-2-7-15-33)30-44(50-48(39)47)35-22-20-31(21-23-35)36-24-27-46-42(28-36)37-18-10-11-19-45(37)51-46;43-37-32-14-7-19-45-39(32)40-33(38(37)44)17-18-34(46-40)25-21-23(26-10-5-12-30-28-8-1-3-15-35(28)47-41(26)30)20-24(22-25)27-11-6-13-31-29-9-2-4-16-36(29)48-42(27)31;43-39-30-8-5-17-45-41(30)42-31(40(39)44)13-14-34(46-42)27-19-25(23-11-15-37-32(21-23)28-6-1-3-9-35(28)47-37)18-26(20-27)24-12-16-38-33(22-24)29-7-2-4-10-36(29)48-38;1-3-10-27(11-4-1)31-24-25-43-40-34(31)22-23-35-37(28-12-5-2-6-13-28)26-38(44-41(35)40)30-20-18-29(19-21-30)32-15-9-16-36-33-14-7-8-17-39(33)45-42(32)36;1-3-9-28(10-4-1)32-23-24-43-41-34(32)20-21-35-36(29-11-5-2-6-12-29)26-38(44-42(35)41)30-17-15-27(16-18-30)31-19-22-40-37(25-31)33-13-7-8-14-39(33)45-40;33-31(34,35)24-14-15-39-28-22(24)12-13-23-25(32(36,37)38)16-26(40-29(23)28)18-10-8-17(9-11-18)19-5-3-6-21-20-4-1-2-7-27(20)41-30(19)21;33-31(34,35)24-13-14-39-29-21(24)10-11-22-25(32(36,37)38)16-26(40-30(22)29)18-7-5-17(6-8-18)19-9-12-28-23(15-19)20-3-1-2-4-27(20)41-28/h2*1-30H;2*1-22H;2*1-26H;2*1-16H.
What are the key properties of 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline?
2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline has a molecular weight of 4977.86 g/mol, XLogP of 97.25, 28 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzothiophen-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7-diphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline;2-[3,5-di(dibenzothiophen-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline is sourced from PubChem (CID 159348167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).