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

C340H196F12N16O12 — CID 159111517

IUPAC2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESFC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc12.FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc12.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)ccc5-c5ccc6c(c5)oc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6cccc7c6oc6ccccc67)ccc5-c5cccc6c5oc5ccccc56)nc4c3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc12
InChIInChI=1S/2C48H28N2O2.2C48H30N2O.2C42H24N2O2.2C32H16F6N2O/c1-2-10-29(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;1-2-8-29(9-3-1)41-24-19-30-14-15-31-20-25-42(50-48(31)47(30)49-41)40-26-32(33-17-22-38-36-10-4-6-12-43(36)51-45(38)27-33)16-21-35(40)34-18-23-39-37-11-5-7-13-44(37)52-46(39)28-34;1-4-13-31(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;1-3-15-37-32(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;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*1-28H;2*1-30H;2*1-24H;2*1-16H
InChIKeyKEODJIHAMLJCRK-UHFFFAOYSA-N
MW4925.38 g/mol
LogP95.81
Rot. Bonds28

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

2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline (PubChem CID 159111517) has the molecular formula C340H196F12N16O12 and a molecular weight of 4925.38 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline.

Molecular Properties

Compound Name2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
PubChem CID159111517
Molecular FormulaC340H196F12N16O12
Molecular Weight4925.38 g/mol
Exact Mass4921.50
IUPAC Name2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline
SMILESFC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc12.FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc12.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)ccc5-c5ccc6c(c5)oc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6cccc7c6oc6ccccc67)ccc5-c5cccc6c5oc5ccccc56)nc4c3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc12
InChIInChI=1S/2C48H28N2O2.2C48H30N2O.2C42H24N2O2.2C32H16F6N2O/c1-2-10-29(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;1-2-8-29(9-3-1)41-24-19-30-14-15-31-20-25-42(50-48(31)47(30)49-41)40-26-32(33-17-22-38-36-10-4-6-12-43(36)51-45(38)27-33)16-21-35(40)34-18-23-39-37-11-5-7-13-44(37)52-46(39)28-34;1-4-13-31(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;1-3-15-37-32(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;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*1-28H;2*1-30H;2*1-24H;2*1-16H
InChIKeyKEODJIHAMLJCRK-UHFFFAOYSA-N
XLogP95.81
TPSA363.92 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds28
Heavy Atoms380
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004925.38
LogP ≤ 595.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

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

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Related Compounds

2-(4-Dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049925
2-(4-Dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline
CID 90049926
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049930
2-[3,5-Di(dibenzofuran-4-yl)phenyl]-5,6-difluoro-1,10-phenanthroline
CID 90049931
3,8-Di(dibenzofuran-2-yl)-5,6-difluoro-1,10-phenanthroline
CID 121460995
3,8-Di(dibenzofuran-4-yl)-5,6-difluoro-1,10-phenanthroline
CID 134167031
3-dibenzofuran-2-yl-8-[8-[4-(8-dibenzofuran-4-yl-5,6-difluoro-10-methyl-9H-1,10-phenanthrolin-3-yl)dibenzofuran-2-yl]dibenzofuran-2-yl]-5,6-difluoro-1,10-phenanthroline
CID 134445878
1-[2-(1-Benzofuran-5-yl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-[2-(2,3-dihydro-1-benzofuran-5-yl)-3-pyridinyl]-4-pyridin-4-ylpiperazine;1-(2-methoxy-4-pyridinyl)-4-(2-phenyl-3-pyridinyl)piperazine;1-(2-naphthalen-1-yl-3-pyridinyl)-4-pyridin-4-ylpiperazine;4-[3-(4-pyridin-4-ylpiperazin-1-yl)-2-pyridinyl]benzonitrile;1-pyridin-4-yl-4-[2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]piperazine
CID 157471947
2,4-Diphenyl-6-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-1,3,5-triazine;6-[10-(2-isocyanophenyl)anthracen-9-yl]-3-(10-phenylanthracen-9-yl)dibenzofuran;3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]pyridine;3-[3-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-[7-(10-phenylanthracen-9-yl)dibenzofuran-4-yl]anthracen-9-yl]quinoline;3-(10-phenylanthracen-9-yl)-6-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran
CID 157749525
6-Cyclopentyl-1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;6-(cyclopentylmethyl)-1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7,9-difluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-propan-2-ylisoquinolin-2-ium;6-(2,2-dimethylpropyl)-1-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methylisoquinolin-2-ium;1-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-6-(3,3,3-trifluoro-2,2-dimethylpropyl)isoquinolin-2-ium
CID 157966331
2,7-Bis[10-(3,5-ditert-butylphenyl)anthracen-9-yl]dibenzofuran;2,7-bis[10-(2,6-difluorophenyl)anthracen-9-yl]dibenzofuran;2-[10-[7-[10-(2-cyanophenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]benzonitrile;3-[3-[10-[7-[10-(3,5-dipyridin-3-ylphenyl)anthracen-9-yl]dibenzofuran-2-yl]anthracen-9-yl]-5-pyridin-3-ylphenyl]pyridine;7-[10-(4-methylphenyl)anthracen-9-yl]-2-[10-[4-(trifluoromethyl)phenyl]anthracen-9-yl]dibenzofuran;3-[10-[7-(10-pyridin-3-ylanthracen-9-yl)dibenzofuran-2-yl]anthracen-9-yl]pyridine
CID 158288422
2-[4-[3-[2-[4-[4-(1,3-Benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[3-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-1,3-benzoxazole;2-[4-[4-[2-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-3-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole;2-[4-[4-[3-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]-6-pyridin-2-yl-2-pyridinyl]phenyl]phenyl]-4,5,6,7-tetrakis(trifluoromethyl)-1,3-benzoxazole
CID 158383395

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The IUPAC name of 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline (CID 159111517) is 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline.
What is the SMILES notation for 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The canonical SMILES for 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline is FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4ccc5oc6ccccc6c5c4)cc3)nc12.FC(F)(F)c1ccnc2c1ccc1c(C(F)(F)F)cc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc12.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6ccc7oc8ccccc8c7c6)cc5)nc4c3n2)cc1.c1ccc(-c2cc(-c3ccccc3)c3ccc4c(-c5ccccc5)cc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6ccc7c(c6)oc6ccccc67)ccc5-c5ccc6c(c5)oc5ccccc56)nc4c3n2)cc1.c1ccc(-c2ccc3ccc4ccc(-c5cc(-c6cccc7c6oc6ccccc67)ccc5-c5cccc6c5oc5ccccc56)nc4c3n2)cc1.c1cnc2c(c1)ccc1ccc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)nc12.c1cnc2c(c1)ccc1ccc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)nc12.
What is the InChIKey of 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline?
The InChIKey is KEODJIHAMLJCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C48H28N2O2.2C48H30N2O.2C42H24N2O2.2C32H16F6N2O/c1-2-10-29(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;1-2-8-29(9-3-1)41-24-19-30-14-15-31-20-25-42(50-48(31)47(30)49-41)40-26-32(33-17-22-38-36-10-4-6-12-43(36)51-45(38)27-33)16-21-35(40)34-18-23-39-37-11-5-7-13-44(37)52-46(39)28-34;1-4-13-31(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;1-3-15-37-32(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;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*1-28H;2*1-30H;2*1-24H;2*1-16H.
What are the key properties of 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline?
2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline has a molecular weight of 4925.38 g/mol, XLogP of 95.81, 28 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-2-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7-bis(trifluoromethyl)-1,10-phenanthroline;2-(4-dibenzofuran-2-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-(4-dibenzofuran-4-ylphenyl)-4,7,9-triphenyl-1,10-phenanthroline;2-[3,5-di(dibenzofuran-2-yl)phenyl]-1,10-phenanthroline;2-[3,5-di(dibenzofuran-4-yl)phenyl]-1,10-phenanthroline;2-[2,5-di(dibenzofuran-3-yl)phenyl]-9-phenyl-1,10-phenanthroline;2-[2,5-di(dibenzofuran-4-yl)phenyl]-9-phenyl-1,10-phenanthroline is sourced from PubChem (CID 159111517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).