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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine

C231H136F12N14S6 — CID 159798427

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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)sc1ccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)cc3)cc12.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.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7sc8ncccc8c7c6)cc5)nc4c3n2)cc1
InChIInChI=1S/2C48H30N2S.C36H23N3S.C35H21N3S.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;1-22-19-33-36(37-21-22)29-20-28(15-18-32(29)40-33)23-7-9-25(10-8-23)31-17-14-27-12-11-26-13-16-30(24-5-3-2-4-6-24)38-34(26)35(27)39-31;1-2-5-23(6-3-1)30-17-14-25-12-13-26-15-18-31(38-34(26)33(25)37-30)24-10-8-22(9-11-24)27-16-19-32-29(21-27)28-7-4-20-36-35(28)39-32;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;2-21H,1H3;1-21H;2*1-16H
InChIKeyNJLWBWHYHFAVIQ-UHFFFAOYSA-N
MW3528.10 g/mol
LogP67.42
Rot. Bonds20

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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine

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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine (PubChem CID 159798427) has the molecular formula C231H136F12N14S6 and a molecular weight of 3528.10 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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine.

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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine
PubChem CID159798427
Molecular FormulaC231H136F12N14S6
Molecular Weight3528.10 g/mol
Exact Mass3524.92
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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)sc1ccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)cc3)cc12.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.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7sc8ncccc8c7c6)cc5)nc4c3n2)cc1
InChIInChI=1S/2C48H30N2S.C36H23N3S.C35H21N3S.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;1-22-19-33-36(37-21-22)29-20-28(15-18-32(29)40-33)23-7-9-25(10-8-23)31-17-14-27-12-11-26-13-16-30(24-5-3-2-4-6-24)38-34(26)35(27)39-31;1-2-5-23(6-3-1)30-17-14-25-12-13-26-15-18-31(38-34(26)33(25)37-30)24-10-8-22(9-11-24)27-16-19-32-29(21-27)28-7-4-20-36-35(28)39-32;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;2-21H,1H3;1-21H;2*1-16H
InChIKeyNJLWBWHYHFAVIQ-UHFFFAOYSA-N
XLogP67.42
TPSA180.46 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms263
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003528.10
LogP ≤ 567.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine with MolForge

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Related Compounds

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
8-[4-(9-Phenyl-1,10-phenanthrolin-2-yl)phenyl]-3-(trifluoromethyl)-[1]benzothiolo[3,2-b]pyridine
CID 134171243
2-[3-(5a-methyl-9aH-dibenzothiophen-4-yl)-5-dibenzothiophen-4-ylphenyl]-5,6-difluoro-1,10-phenanthroline
CID 134446129
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
12-[2-([1]Benzothiolo[2,3-a]carbazol-12-yl)-4-(2,6-difluorophenyl)-5-methylphenyl]-[1]benzothiolo[2,3-a]carbazole;9-[2-[3,6-bis(2-phenyl-3-pyridinyl)carbazol-9-yl]-4-(2,6-difluorophenyl)-5-methylphenyl]-3,6-bis(2-phenyl-3-pyridinyl)carbazole;12-[4-(2,6-difluorophenyl)-2-(11-phenylindolo[2,3-a]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-11-phenylindolo[2,3-a]carbazole;12-[4-(2,6-difluorophenyl)-2-(5-phenylindolo[3,2-c]carbazol-12-yl)-5-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 157676979
2-[5-(2,6-dimethylphenyl)-9,9-dimethyl-2H-fluoren-2-id-3-yl]pyridine;5-(2,6-dimethylphenyl)-9-ethyl-3-pyridin-2-yl-2H-carbazol-2-ide;tris(2-[3-[2-(2,6-dimethylphenyl)phenyl]benzene-6-id-1-yl]pyridine);2-[3-[2-(2,6-dimethylphenyl)-4-[3-(3-phenylphenyl)phenyl]phenyl]benzene-6-id-1-yl]pyridine;2-[3-[2-(2,6-dimethylphenyl)-4-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)phenyl]benzene-6-id-1-yl]pyridine;heptakis(iridium);2-[3-[3-(6-phenylhexyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazole;2-[3-[3-(3-phenylphenyl)phenyl]benzene-6-id-1-yl]pyridine
CID 158665055
2-(1-Benzothiophen-2-yl)pyridine;2-(1-benzothiophen-2-yl)-5-(trifluoromethyl)pyridine;2-(2,4-difluorophenyl)pyridine;2-(4-fluorophenyl)pyridine;2-phenyl-1,3-benzothiazole;2-phenylpyridine;2-thiophen-2-ylpyridine
CID 158813685
(4aS,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4aR,8aS)-2-propan-2-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;4,4-difluoro-2-propan-2-yl-1,3-dihydroisoquinoline;2,3-dimethyl-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;1-methyl-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyrazin-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-4-ylindazole;4-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;6-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;7-methyl-5-(4-propan-2-yl-2-pyridinyl)-1H-isoindole;5-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-dihydroisoindole;2-propan-2-yl-3,4-dihydro-1H-2,6-naphthyridine;2-propan-2-yl-3,4-dihydro-1H-2,7-naphthyridine;7-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-propan-2-yl-5,7-dihydropyrrolo[3,4-b]pyridine;2-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridine;6-propan-2-ylisoquinoline
CID 159219003
CID 159272117
CID 159272117

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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine?
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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine (CID 159798427) 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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine.
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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine?
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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine is Cc1cnc2c(c1)sc1ccc(-c3ccc(-c4ccc5ccc6ccc(-c7ccccc7)nc6c5n4)cc3)cc12.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.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6sc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5ccc(-c6ccc7sc8ncccc8c7c6)cc5)nc4c3n2)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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine?
The InChIKey is NJLWBWHYHFAVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H30N2S.C36H23N3S.C35H21N3S.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;1-22-19-33-36(37-21-22)29-20-28(15-18-32(29)40-33)23-7-9-25(10-8-23)31-17-14-27-12-11-26-13-16-30(24-5-3-2-4-6-24)38-34(26)35(27)39-31;1-2-5-23(6-3-1)30-17-14-25-12-13-26-15-18-31(38-34(26)33(25)37-30)24-10-8-22(9-11-24)27-16-19-32-29(21-27)28-7-4-20-36-35(28)39-32;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;2-21H,1H3;1-21H;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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine?
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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine has a molecular weight of 3528.10 g/mol, XLogP of 67.42, 20 rotatable bonds, 0 hydrogen bond donors, and 20 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)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzothiophen-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;3-methyl-8-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[3,2-b]pyridine;6-[4-(9-phenyl-1,10-phenanthrolin-2-yl)phenyl]-[1]benzothiolo[2,3-b]pyridine is sourced from PubChem (CID 159798427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).