2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene

C329H247Cl4F65O14 — CID 159875367

IUPAC2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)cc4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/3C37H28F8O2.2C37H29F7O2.C36H25ClF8O.C36H26ClF7O.2C36H27ClF6O/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-17-30(33(38)20-25)26-11-18-31(34(39)21-26)27-12-19-32(35(40)22-27)36(41,42)46-28-13-15-29(16-14-28)47-37(43,44)45;1-2-3-4-5-23-6-8-24(9-7-23)27-14-19-31(32(38)20-27)26-12-10-25(11-13-26)28-21-33(39)35(34(40)22-28)36(41,42)46-29-15-17-30(18-16-29)47-37(43,44)45;1-2-3-4-5-23-6-8-24(9-7-23)25-10-12-26(13-11-25)27-14-19-31(32(38)20-27)28-21-33(39)35(34(40)22-28)36(41,42)46-29-15-17-30(18-16-29)47-37(43,44)45;1-2-3-4-5-24-6-8-25(9-7-24)27-12-20-33(34(38)22-27)28-13-21-32(35(39)23-28)26-10-14-29(15-11-26)36(40,41)45-30-16-18-31(19-17-30)46-37(42,43)44;1-2-3-4-5-24-6-8-25(9-7-24)28-14-20-32(34(38)22-28)27-12-10-26(11-13-27)29-15-21-33(35(39)23-29)36(40,41)45-30-16-18-31(19-17-30)46-37(42,43)44;1-2-3-4-5-20-6-8-21(9-7-20)22-10-12-26(28(38)14-22)23-15-30(40)34(31(41)16-23)24-17-32(42)35(33(43)18-24)36(44,45)46-25-11-13-27(37)29(39)19-25;1-2-3-4-5-21-6-8-22(9-7-21)23-10-13-27(30(38)16-23)24-11-14-28(31(39)17-24)25-18-33(41)35(34(42)19-25)36(43,44)45-26-12-15-29(37)32(40)20-26;1-2-3-4-5-22-6-8-23(9-7-22)26-14-16-29(31(38)18-26)25-12-10-24(11-13-25)27-19-33(40)35(34(41)20-27)36(42,43)44-28-15-17-30(37)32(39)21-28;1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-29(31(38)18-26)27-19-33(40)35(34(41)20-27)36(42,43)44-28-15-17-30(37)32(39)21-28/h3*6-22H,2-5H2,1H3;2*6-23H,2-5H2,1H3;6-19H,2-5H2,1H3;6-20H,2-5H2,1H3;2*6-21H,2-5H2,1H3
InChIKeyNSVJXHSQGSEDNI-UHFFFAOYSA-N
MW5801.26 g/mol
LogP106.50
Rot. Bonds95

About 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene

2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene (PubChem CID 159875367) has the molecular formula C329H247Cl4F65O14 and a molecular weight of 5801.26 g/mol. Its IUPAC name is 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
PubChem CID159875367
Molecular FormulaC329H247Cl4F65O14
Molecular Weight5801.26 g/mol
Exact Mass5795.63
IUPAC Name2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)cc4)c(F)c3)c(F)c2)cc1
InChIInChI=1S/3C37H28F8O2.2C37H29F7O2.C36H25ClF8O.C36H26ClF7O.2C36H27ClF6O/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-17-30(33(38)20-25)26-11-18-31(34(39)21-26)27-12-19-32(35(40)22-27)36(41,42)46-28-13-15-29(16-14-28)47-37(43,44)45;1-2-3-4-5-23-6-8-24(9-7-23)27-14-19-31(32(38)20-27)26-12-10-25(11-13-26)28-21-33(39)35(34(40)22-28)36(41,42)46-29-15-17-30(18-16-29)47-37(43,44)45;1-2-3-4-5-23-6-8-24(9-7-23)25-10-12-26(13-11-25)27-14-19-31(32(38)20-27)28-21-33(39)35(34(40)22-28)36(41,42)46-29-15-17-30(18-16-29)47-37(43,44)45;1-2-3-4-5-24-6-8-25(9-7-24)27-12-20-33(34(38)22-27)28-13-21-32(35(39)23-28)26-10-14-29(15-11-26)36(40,41)45-30-16-18-31(19-17-30)46-37(42,43)44;1-2-3-4-5-24-6-8-25(9-7-24)28-14-20-32(34(38)22-28)27-12-10-26(11-13-27)29-15-21-33(35(39)23-29)36(40,41)45-30-16-18-31(19-17-30)46-37(42,43)44;1-2-3-4-5-20-6-8-21(9-7-20)22-10-12-26(28(38)14-22)23-15-30(40)34(31(41)16-23)24-17-32(42)35(33(43)18-24)36(44,45)46-25-11-13-27(37)29(39)19-25;1-2-3-4-5-21-6-8-22(9-7-21)23-10-13-27(30(38)16-23)24-11-14-28(31(39)17-24)25-18-33(41)35(34(42)19-25)36(43,44)45-26-12-15-29(37)32(40)20-26;1-2-3-4-5-22-6-8-23(9-7-22)26-14-16-29(31(38)18-26)25-12-10-24(11-13-25)27-19-33(40)35(34(41)20-27)36(42,43)44-28-15-17-30(37)32(39)21-28;1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-29(31(38)18-26)27-19-33(40)35(34(41)20-27)36(42,43)44-28-15-17-30(37)32(39)21-28/h3*6-22H,2-5H2,1H3;2*6-23H,2-5H2,1H3;6-19H,2-5H2,1H3;6-20H,2-5H2,1H3;2*6-21H,2-5H2,1H3
InChIKeyNSVJXHSQGSEDNI-UHFFFAOYSA-N
XLogP106.50
TPSA129.22 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds95
Heavy Atoms412
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005801.26
LogP ≤ 5106.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The IUPAC name of 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene (CID 159875367) is 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene.
What is the SMILES notation for 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The canonical SMILES for 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene is CCCCCc1ccc(-c2ccc(-c3cc(F)c(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(Cl)c(F)c5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)c(F)c3)cc2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4cc(F)c(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)c(F)c4)cc3)c(F)c2)cc1.CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(C(F)(F)Oc5ccc(OC(F)(F)F)cc5)cc4)c(F)c3)c(F)c2)cc1.
What is the InChIKey of 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene?
The InChIKey is NSVJXHSQGSEDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C37H28F8O2.2C37H29F7O2.C36H25ClF8O.C36H26ClF7O.2C36H27ClF6O/c1-2-3-4-5-23-6-8-24(9-7-23)25-10-17-30(33(38)20-25)26-11-18-31(34(39)21-26)27-12-19-32(35(40)22-27)36(41,42)46-28-13-15-29(16-14-28)47-37(43,44)45;1-2-3-4-5-23-6-8-24(9-7-23)27-14-19-31(32(38)20-27)26-12-10-25(11-13-26)28-21-33(39)35(34(40)22-28)36(41,42)46-29-15-17-30(18-16-29)47-37(43,44)45;1-2-3-4-5-23-6-8-24(9-7-23)25-10-12-26(13-11-25)27-14-19-31(32(38)20-27)28-21-33(39)35(34(40)22-28)36(41,42)46-29-15-17-30(18-16-29)47-37(43,44)45;1-2-3-4-5-24-6-8-25(9-7-24)27-12-20-33(34(38)22-27)28-13-21-32(35(39)23-28)26-10-14-29(15-11-26)36(40,41)45-30-16-18-31(19-17-30)46-37(42,43)44;1-2-3-4-5-24-6-8-25(9-7-24)28-14-20-32(34(38)22-28)27-12-10-26(11-13-27)29-15-21-33(35(39)23-29)36(40,41)45-30-16-18-31(19-17-30)46-37(42,43)44;1-2-3-4-5-20-6-8-21(9-7-20)22-10-12-26(28(38)14-22)23-15-30(40)34(31(41)16-23)24-17-32(42)35(33(43)18-24)36(44,45)46-25-11-13-27(37)29(39)19-25;1-2-3-4-5-21-6-8-22(9-7-21)23-10-13-27(30(38)16-23)24-11-14-28(31(39)17-24)25-18-33(41)35(34(42)19-25)36(43,44)45-26-12-15-29(37)32(40)20-26;1-2-3-4-5-22-6-8-23(9-7-22)26-14-16-29(31(38)18-26)25-12-10-24(11-13-25)27-19-33(40)35(34(41)20-27)36(42,43)44-28-15-17-30(37)32(39)21-28;1-2-3-4-5-22-6-8-23(9-7-22)24-10-12-25(13-11-24)26-14-16-29(31(38)18-26)27-19-33(40)35(34(41)20-27)36(42,43)44-28-15-17-30(37)32(39)21-28/h3*6-22H,2-5H2,1H3;2*6-23H,2-5H2,1H3;6-19H,2-5H2,1H3;6-20H,2-5H2,1H3;2*6-21H,2-5H2,1H3.
What are the key properties of 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene?
2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene has a molecular weight of 5801.26 g/mol, XLogP of 106.50, 95 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[(4-chloro-3-fluorophenoxy)-difluoromethyl]-5-[2,6-difluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]-1,3-difluorobenzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[2-fluoro-4-[4-(4-pentylphenyl)phenyl]phenyl]benzene;2-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-1,3-difluoro-5-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[2-fluoro-4-(4-pentylphenyl)phenyl]phenyl]benzene;1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]phenyl]-2-fluoro-4-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene is sourced from PubChem (CID 159875367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).