bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate

C383H306F20N22O44 — CID 159250381

IUPACbis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate
SMILESN#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)c(F)c3)cc2F)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)c(F)c3)cc2F)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1
InChIInChI=1S/2C37H32F2N2O4.C37H34N2O4.C35H26F4N2O4.2C35H28F2N2O4.C35H30N2O4.C33H22F4N2O4.2C33H24F2N2O4.C33H26N2O4/c38-34-22-30(18-20-32(34)28-14-10-26(24-40)11-15-28)44-36(42)8-6-4-2-1-3-5-7-9-37(43)45-31-19-21-33(35(39)23-31)29-16-12-27(25-41)13-17-29;38-34-22-28(10-12-30(34)24-40)26-14-18-32(19-15-26)44-36(42)8-6-4-2-1-3-5-7-9-37(43)45-33-20-16-27(17-21-33)29-11-13-31(25-41)35(39)23-29;38-26-28-10-14-30(15-11-28)32-18-22-34(23-19-32)42-36(40)8-6-4-2-1-3-5-7-9-37(41)43-35-24-20-33(21-25-35)31-16-12-29(27-39)13-17-31;36-30-16-22(8-10-24(30)20-40)28-14-12-26(18-32(28)38)44-34(42)6-4-2-1-3-5-7-35(43)45-27-13-15-29(33(39)19-27)23-9-11-25(21-41)31(37)17-23;36-32-20-28(16-18-30(32)26-12-8-24(22-38)9-13-26)42-34(40)6-4-2-1-3-5-7-35(41)43-29-17-19-31(33(37)21-29)27-14-10-25(23-39)11-15-27;36-32-20-26(8-10-28(32)22-38)24-12-16-30(17-13-24)42-34(40)6-4-2-1-3-5-7-35(41)43-31-18-14-25(15-19-31)27-9-11-29(23-39)33(37)21-27;36-24-26-8-12-28(13-9-26)30-16-20-32(21-17-30)40-34(38)6-4-2-1-3-5-7-35(39)41-33-22-18-31(19-23-33)29-14-10-27(25-37)11-15-29;34-28-14-20(6-8-22(28)18-38)26-12-10-24(16-30(26)36)42-32(40)4-2-1-3-5-33(41)43-25-11-13-27(31(37)17-25)21-7-9-23(19-39)29(35)15-21;34-30-18-26(14-16-28(30)24-10-6-22(20-36)7-11-24)40-32(38)4-2-1-3-5-33(39)41-27-15-17-29(31(35)19-27)25-12-8-23(21-37)9-13-25;34-30-18-24(6-8-26(30)20-36)22-10-14-28(15-11-22)40-32(38)4-2-1-3-5-33(39)41-29-16-12-23(13-17-29)25-7-9-27(21-37)31(35)19-25;34-22-24-6-10-26(11-7-24)28-14-18-30(19-15-28)38-32(36)4-2-1-3-5-33(37)39-31-20-16-29(17-21-31)27-12-8-25(23-35)9-13-27/h2*10-23H,1-9H2;10-25H,1-9H2;8-19H,1-7H2;2*8-21H,1-7H2;8-23H,1-7H2;6-17H,1-5H2;2*6-19H,1-5H2;6-21H,1-5H2
InChIKeyKVFLDGPOWRVJOP-UHFFFAOYSA-N
MW6300.73 g/mol
LogP90.06
Rot. Bonds130

About bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate

bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate (PubChem CID 159250381) has the molecular formula C383H306F20N22O44 and a molecular weight of 6300.73 g/mol. Its IUPAC name is bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate.

Molecular Properties

Compound Namebis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate
PubChem CID159250381
Molecular FormulaC383H306F20N22O44
Molecular Weight6300.73 g/mol
Exact Mass6296.21
IUPAC Namebis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate
SMILESN#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)c(F)c3)cc2F)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)c(F)c3)cc2F)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1
InChIInChI=1S/2C37H32F2N2O4.C37H34N2O4.C35H26F4N2O4.2C35H28F2N2O4.C35H30N2O4.C33H22F4N2O4.2C33H24F2N2O4.C33H26N2O4/c38-34-22-30(18-20-32(34)28-14-10-26(24-40)11-15-28)44-36(42)8-6-4-2-1-3-5-7-9-37(43)45-31-19-21-33(35(39)23-31)29-16-12-27(25-41)13-17-29;38-34-22-28(10-12-30(34)24-40)26-14-18-32(19-15-26)44-36(42)8-6-4-2-1-3-5-7-9-37(43)45-33-20-16-27(17-21-33)29-11-13-31(25-41)35(39)23-29;38-26-28-10-14-30(15-11-28)32-18-22-34(23-19-32)42-36(40)8-6-4-2-1-3-5-7-9-37(41)43-35-24-20-33(21-25-35)31-16-12-29(27-39)13-17-31;36-30-16-22(8-10-24(30)20-40)28-14-12-26(18-32(28)38)44-34(42)6-4-2-1-3-5-7-35(43)45-27-13-15-29(33(39)19-27)23-9-11-25(21-41)31(37)17-23;36-32-20-28(16-18-30(32)26-12-8-24(22-38)9-13-26)42-34(40)6-4-2-1-3-5-7-35(41)43-29-17-19-31(33(37)21-29)27-14-10-25(23-39)11-15-27;36-32-20-26(8-10-28(32)22-38)24-12-16-30(17-13-24)42-34(40)6-4-2-1-3-5-7-35(41)43-31-18-14-25(15-19-31)27-9-11-29(23-39)33(37)21-27;36-24-26-8-12-28(13-9-26)30-16-20-32(21-17-30)40-34(38)6-4-2-1-3-5-7-35(39)41-33-22-18-31(19-23-33)29-14-10-27(25-37)11-15-29;34-28-14-20(6-8-22(28)18-38)26-12-10-24(16-30(26)36)42-32(40)4-2-1-3-5-33(41)43-25-11-13-27(31(37)17-25)21-7-9-23(19-39)29(35)15-21;34-30-18-26(14-16-28(30)24-10-6-22(20-36)7-11-24)40-32(38)4-2-1-3-5-33(39)41-27-15-17-29(31(35)19-27)25-12-8-23(21-37)9-13-25;34-30-18-24(6-8-26(30)20-36)22-10-14-28(15-11-22)40-32(38)4-2-1-3-5-33(39)41-29-16-12-23(13-17-29)25-7-9-27(21-37)31(35)19-25;34-22-24-6-10-26(11-7-24)28-14-18-30(19-15-28)38-32(36)4-2-1-3-5-33(37)39-31-20-16-29(17-21-31)27-12-8-25(23-35)9-13-27/h2*10-23H,1-9H2;10-25H,1-9H2;8-19H,1-7H2;2*8-21H,1-7H2;8-23H,1-7H2;6-17H,1-5H2;2*6-19H,1-5H2;6-21H,1-5H2
InChIKeyKVFLDGPOWRVJOP-UHFFFAOYSA-N
XLogP90.06
TPSA1101.98 Ų
H-Bond Donors
H-Bond Acceptors66
Rotatable Bonds130
Heavy Atoms469
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5006300.73
LogP ≤ 590.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1066

Analyze bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate with MolForge

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Related Compounds

1-O-[4-[4-(4-cyano-3,5-difluorophenyl)-3,5-difluorophenyl]phenyl] 11-O-[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate
CID 122593423
1-O-[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] 9-O-[4-(3,4-difluorophenyl)-3-phosphanylphenyl] nonanedioate
CID 130443676
3-O-[4-(4-chlorophenyl)-3-fluorophenyl] 1-O-[4-(4-cyanophenyl)-3-fluorophenyl] propanedioate
CID 123362678
7-O-[4-(3,4-difluorophenyl)-3-fluorophenyl] 1-O-[4-[4-(3,4-difluorophenyl)phenyl]-3-(fluoromethyl)phenyl] heptanedioate
CID 155197215
[3-fluoro-4-(4-methylphenyl)phenyl] 2-[4-(4-cyanophenyl)phenoxy]acetate
CID 144581637
[4-(4-cyanophenyl)-3-fluorophenyl] acetate
CID 90070357
bis[3-fluoro-4-[4-(trifluoromethyl)phenyl]phenyl] nonanedioate
CID 90070350
1-O-[4-(4-cyanophenyl)-3-fluorophenyl] 3-O-[3-fluoro-4-(4-isocyanophenyl)phenyl] propanedioate
CID 149172921
6-[4-[4-(4-cyanophenyl)-2-fluorophenyl]phenoxy]hexyl prop-2-enoate
CID 122665030
1-O-[4-[4-(4-cyano-3,5-difluorophenyl)-3,5-difluorophenyl]phenyl] 3-O-[3-fluoro-4-(4-fluorophenyl)phenyl] propanedioate;3-O-[4-(3,4-difluorophenyl)-3-fluorophenyl] 1-O-[4-[4-(3,4-difluorophenyl)phenyl]-3-fluorophenyl] propanedioate
CID 158591020
(4-cyanophenyl) 6-chlorohexanoate
CID 532385
1-O-[4-[4-(4-cyano-3,5-difluorophenyl)-3,5-difluorophenyl]phenyl] 3-O-[3-fluoro-4-(4-fluorophenyl)phenyl] propanedioate
CID 118101625

Frequently Asked Questions

What is the IUPAC name of bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate?
The IUPAC name of bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate (CID 159250381) is bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate.
What is the SMILES notation for bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate?
The canonical SMILES for bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate is N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)c(F)c3)cc2F)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)c(F)c3)cc2F)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)c(F)c4)cc3)cc2)cc1F.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2F)cc1.N#Cc1ccc(-c2ccc(OC(=O)CCCCCCCCCC(=O)Oc3ccc(-c4ccc(C#N)cc4)cc3)cc2)cc1.
What is the InChIKey of bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate?
The InChIKey is KVFLDGPOWRVJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H32F2N2O4.C37H34N2O4.C35H26F4N2O4.2C35H28F2N2O4.C35H30N2O4.C33H22F4N2O4.2C33H24F2N2O4.C33H26N2O4/c38-34-22-30(18-20-32(34)28-14-10-26(24-40)11-15-28)44-36(42)8-6-4-2-1-3-5-7-9-37(43)45-31-19-21-33(35(39)23-31)29-16-12-27(25-41)13-17-29;38-34-22-28(10-12-30(34)24-40)26-14-18-32(19-15-26)44-36(42)8-6-4-2-1-3-5-7-9-37(43)45-33-20-16-27(17-21-33)29-11-13-31(25-41)35(39)23-29;38-26-28-10-14-30(15-11-28)32-18-22-34(23-19-32)42-36(40)8-6-4-2-1-3-5-7-9-37(41)43-35-24-20-33(21-25-35)31-16-12-29(27-39)13-17-31;36-30-16-22(8-10-24(30)20-40)28-14-12-26(18-32(28)38)44-34(42)6-4-2-1-3-5-7-35(43)45-27-13-15-29(33(39)19-27)23-9-11-25(21-41)31(37)17-23;36-32-20-28(16-18-30(32)26-12-8-24(22-38)9-13-26)42-34(40)6-4-2-1-3-5-7-35(41)43-29-17-19-31(33(37)21-29)27-14-10-25(23-39)11-15-27;36-32-20-26(8-10-28(32)22-38)24-12-16-30(17-13-24)42-34(40)6-4-2-1-3-5-7-35(41)43-31-18-14-25(15-19-31)27-9-11-29(23-39)33(37)21-27;36-24-26-8-12-28(13-9-26)30-16-20-32(21-17-30)40-34(38)6-4-2-1-3-5-7-35(39)41-33-22-18-31(19-23-33)29-14-10-27(25-37)11-15-29;34-28-14-20(6-8-22(28)18-38)26-12-10-24(16-30(26)36)42-32(40)4-2-1-3-5-33(41)43-25-11-13-27(31(37)17-25)21-7-9-23(19-39)29(35)15-21;34-30-18-26(14-16-28(30)24-10-6-22(20-36)7-11-24)40-32(38)4-2-1-3-5-33(39)41-27-15-17-29(31(35)19-27)25-12-8-23(21-37)9-13-25;34-30-18-24(6-8-26(30)20-36)22-10-14-28(15-11-22)40-32(38)4-2-1-3-5-33(39)41-29-16-12-23(13-17-29)25-7-9-27(21-37)31(35)19-25;34-22-24-6-10-26(11-7-24)28-14-18-30(19-15-28)38-32(36)4-2-1-3-5-33(37)39-31-20-16-29(17-21-31)27-12-8-25(23-35)9-13-27/h2*10-23H,1-9H2;10-25H,1-9H2;8-19H,1-7H2;2*8-21H,1-7H2;8-23H,1-7H2;6-17H,1-5H2;2*6-19H,1-5H2;6-21H,1-5H2.
What are the key properties of bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate?
bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate has a molecular weight of 6300.73 g/mol, XLogP of 90.06, 130 rotatable bonds, 0 hydrogen bond donors, and 66 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] heptanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] nonanedioate;bis[4-(4-cyano-3-fluorophenyl)phenyl] undecanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] heptanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] nonanedioate;bis[4-(4-cyanophenyl)-3-fluorophenyl] undecanedioate;bis[4-(4-cyanophenyl)phenyl] heptanedioate;bis[4-(4-cyanophenyl)phenyl] nonanedioate;bis[4-(4-cyanophenyl)phenyl] undecanedioate is sourced from PubChem (CID 159250381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).