bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen

C256H348F4O8 — CID 162206259

IUPACbis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
SMILESCC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(C)CC4)CC3)cc2)CC1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2F)cc1.Cc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2)cc1.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.Cc1ccc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H40O2.C26H20F2.2C21H36O2.C21H30O2.2C20H17F.2C20H30.C20H24.2C20H18.16H2/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-17-3-7-19(8-4-17)23-13-11-21(15-25(23)27)22-12-14-24(26(28)16-22)20-9-5-18(2)6-10-20;3*1-15-3-7-17(8-4-15)18-9-11-19(12-10-18)21(22)23-20-13-5-16(2)6-14-20;1-14-3-6-16(7-4-14)17-8-10-18(11-9-17)19-12-5-15(2)13-20(19)21;1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;;;;;;;;;;;;;;;;/h15-23,25H,3-14H2,1-2H3;3-16H,1-2H3;2*15-20H,3-14H2,1-2H3;5-6,13-15,17-19H,3-4,7-12H2,1-2H3;2*3-13H,1-2H3;2*3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;3-4,7-8,11-14,16,18H,5-6,9-10H2,1-2H3;2*3-14H,1-2H3;16*1H
InChIKeyZSFPMZXEHVJTPS-UHFFFAOYSA-N
MW3629.58 g/mol
LogP77.03
Rot. Bonds30

About bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen

bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen (PubChem CID 162206259) has the molecular formula C256H348F4O8 and a molecular weight of 3629.58 g/mol. Its IUPAC name is bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen.

Molecular Properties

Compound Namebis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
PubChem CID162206259
Molecular FormulaC256H348F4O8
Molecular Weight3629.58 g/mol
Exact Mass3626.68
IUPAC Namebis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
SMILESCC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(C)CC4)CC3)cc2)CC1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2F)cc1.Cc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2)cc1.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.Cc1ccc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C27H40O2.C26H20F2.2C21H36O2.C21H30O2.2C20H17F.2C20H30.C20H24.2C20H18.16H2/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-17-3-7-19(8-4-17)23-13-11-21(15-25(23)27)22-12-14-24(26(28)16-22)20-9-5-18(2)6-10-20;3*1-15-3-7-17(8-4-15)18-9-11-19(12-10-18)21(22)23-20-13-5-16(2)6-14-20;1-14-3-6-16(7-4-14)17-8-10-18(11-9-17)19-12-5-15(2)13-20(19)21;1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;;;;;;;;;;;;;;;;/h15-23,25H,3-14H2,1-2H3;3-16H,1-2H3;2*15-20H,3-14H2,1-2H3;5-6,13-15,17-19H,3-4,7-12H2,1-2H3;2*3-13H,1-2H3;2*3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;3-4,7-8,11-14,16,18H,5-6,9-10H2,1-2H3;2*3-14H,1-2H3;16*1H
InChIKeyZSFPMZXEHVJTPS-UHFFFAOYSA-N
XLogP77.03
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds30
Heavy Atoms268
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003629.58
LogP ≤ 577.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen with MolForge

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Related Compounds

2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 157199372
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;bis(1-methyl-4-(4-methylcyclohexyl)benzene);bis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);bis(1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene);1-methyl-4-(4-methylphenyl)benzene;molecular hydrogen
CID 160558851
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 158900072
[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;2-methyl-1-(4-methylcyclohexyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene
CID 159874252
(2,3-difluoro-4-methylphenyl) 4-methylcyclohexane-1-carboxylate;2-fluoro-4-(4-methylcyclohexyl)-1-[4-(4-methylcyclohexyl)phenyl]benzene
CID 91270931
methane;[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen
CID 162132336
1,3-difluoro-2-methyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;2-fluoro-1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;(3-fluoro-4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]benzene;1-methyl-4-[4-[2-(4-methylcyclohexyl)ethyl]phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate
CID 160899076
2,3-difluoro-1,4-bis(4-methylphenyl)benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)phenyl]benzene;2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-(4-methylphenyl)benzene;bis(2,3-difluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylphenyl)phenyl]benzene);2,3-difluoro-1-[2-fluoro-4-(4-methylphenyl)phenyl]-4-methylbenzene;2,3-difluoro-1-[4-(4-methylcyclohexyl)phenyl]-4-(4-methylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 158478579
(4-methylphenyl) 4-methylcyclohexane-1-carboxylate;molecular hydrogen
CID 160876480
1,3-difluoro-5-[2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]-2-methylbenzene;1,3-difluoro-2-(3-fluoro-4-methylphenyl)-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(4-methylphenyl)benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene;1,3-difluoro-2-methyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;2-(3,5-difluoro-4-methylphenyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-1-(3-fluoro-4-methylphenyl)-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;2-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene;1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl]benzene
CID 158970784
1-[4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylcycloheptane
CID 123946617
(3-fluoro-4-methylphenyl) 4-(4-methylcyclohexyl)benzoate;(3-fluoro-4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;1,2,3-trimethyl-5-(4-methylcyclohexyl)benzene;1,2,3-trimethyl-5-[4-(4-methylcyclohexyl)cyclohexyl]benzene;1,2,3-trimethyl-5-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]benzene;1,2,3-trimethyl-5-[4-(4-methylcyclohexyl)phenyl]benzene;1,2,3-trimethyl-5-(4-methylphenyl)benzene;1,2,3-trimethyl-5-[4-(4-methylphenyl)phenyl]benzene
CID 158044869

Frequently Asked Questions

What is the IUPAC name of bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen?
The IUPAC name of bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen (CID 162206259) is bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen.
What is the SMILES notation for bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen?
The canonical SMILES for bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen is CC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(OC(=O)C2CCC(C3CCC(C)CC3)CC2)CC1.CC1CCC(c2ccc(OC(=O)C3CCC(C4CCC(C)CC4)CC3)cc2)CC1.Cc1ccc(-c2ccc(-c3ccc(-c4ccc(C)cc4)c(F)c3)cc2F)cc1.Cc1ccc(-c2ccc(-c3ccc(C)c(F)c3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccc(C)cc3F)cc2)cc1.Cc1ccc(-c2ccc(C3CCC(C)CC3)cc2)cc1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.Cc1ccc(C2CCC(C3CCC(C)CC3)CC2)cc1.Cc1ccc(OC(=O)C2CCC(C3CCC(C)CC3)CC2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen?
The InChIKey is ZSFPMZXEHVJTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40O2.C26H20F2.2C21H36O2.C21H30O2.2C20H17F.2C20H30.C20H24.2C20H18.16H2/c1-19-3-7-21(8-4-19)23-11-13-25(14-12-23)27(28)29-26-17-15-24(16-18-26)22-9-5-20(2)6-10-22;1-17-3-7-19(8-4-17)23-13-11-21(15-25(23)27)22-12-14-24(26(28)16-22)20-9-5-18(2)6-10-20;3*1-15-3-7-17(8-4-15)18-9-11-19(12-10-18)21(22)23-20-13-5-16(2)6-14-20;1-14-3-6-16(7-4-14)17-8-10-18(11-9-17)19-12-5-15(2)13-20(19)21;1-14-3-6-16(7-4-14)17-9-11-18(12-10-17)19-8-5-15(2)20(21)13-19;5*1-15-3-7-17(8-4-15)19-11-13-20(14-12-19)18-9-5-16(2)6-10-18;;;;;;;;;;;;;;;;/h15-23,25H,3-14H2,1-2H3;3-16H,1-2H3;2*15-20H,3-14H2,1-2H3;5-6,13-15,17-19H,3-4,7-12H2,1-2H3;2*3-13H,1-2H3;2*3-4,7-8,16,18-20H,5-6,9-14H2,1-2H3;3-4,7-8,11-14,16,18H,5-6,9-10H2,1-2H3;2*3-14H,1-2H3;16*1H.
What are the key properties of bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen?
bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen has a molecular weight of 3629.58 g/mol, XLogP of 77.03, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,4-bis(4-methylphenyl)benzene);2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]-1-(4-methylphenyl)benzene;2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene;2-fluoro-4-methyl-1-[4-(4-methylphenyl)phenyl]benzene;bis((4-methylcyclohexyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate);[4-(4-methylcyclohexyl)phenyl] 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;bis(1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene);1-methyl-4-[4-(4-methylcyclohexyl)phenyl]benzene;(4-methylphenyl) 4-(4-methylcyclohexyl)cyclohexane-1-carboxylate;molecular hydrogen is sourced from PubChem (CID 162206259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).