3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one

C139H132Cl2F24O5 — CID 158058093

IUPAC3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2cc(C)cc(C(F)(F)F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(C)c(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(Cl)c(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C)c(F)c2)c1
InChIInChI=1S/C29H28F6O.C28H25ClF6O.C28H28F4O.C27H25ClF4O.C27H26F4O/c1-16(2)6-27(19(5)36)24-12-22(20-7-17(3)9-25(14-20)28(30,31)32)11-23(13-24)21-8-18(4)10-26(15-21)29(33,34)35;1-15(2)7-24(17(4)36)22-11-20(18-5-6-26(29)25(14-18)28(33,34)35)10-21(12-22)19-8-16(3)9-23(13-19)27(30,31)32;1-16(2)8-26(19(5)33)24-12-22(20-7-6-18(4)27(29)15-20)11-23(13-24)21-9-17(3)10-25(14-21)28(30,31)32;1-15(2)7-24(17(4)33)22-11-20(18-5-6-25(28)26(29)14-18)10-21(12-22)19-8-16(3)9-23(13-19)27(30,31)32;1-16(2)11-25(18(4)32)23-13-21(19-7-9-24(10-8-19)27(29,30)31)12-22(14-23)20-6-5-17(3)26(28)15-20/h7-16,27H,6H2,1-5H3;5-6,8-15,24H,7H2,1-4H3;6-7,9-16,26H,8H2,1-5H3;5-6,8-15,24H,7H2,1-4H3;5-10,12-16,25H,11H2,1-4H3
InChIKeyFKHSYYGZJBALMP-UHFFFAOYSA-N
MW2409.44 g/mol
LogP44.71
Rot. Bonds30

About 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one

3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one (PubChem CID 158058093) has the molecular formula C139H132Cl2F24O5 and a molecular weight of 2409.44 g/mol. Its IUPAC name is 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one.

Molecular Properties

Compound Name3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
PubChem CID158058093
Molecular FormulaC139H132Cl2F24O5
Molecular Weight2409.44 g/mol
Exact Mass2406.91
IUPAC Name3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one
SMILESCC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2cc(C)cc(C(F)(F)F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(C)c(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(Cl)c(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C)c(F)c2)c1
InChIInChI=1S/C29H28F6O.C28H25ClF6O.C28H28F4O.C27H25ClF4O.C27H26F4O/c1-16(2)6-27(19(5)36)24-12-22(20-7-17(3)9-25(14-20)28(30,31)32)11-23(13-24)21-8-18(4)10-26(15-21)29(33,34)35;1-15(2)7-24(17(4)36)22-11-20(18-5-6-26(29)25(14-18)28(33,34)35)10-21(12-22)19-8-16(3)9-23(13-19)27(30,31)32;1-16(2)8-26(19(5)33)24-12-22(20-7-6-18(4)27(29)15-20)11-23(13-24)21-9-17(3)10-25(14-21)28(30,31)32;1-15(2)7-24(17(4)33)22-11-20(18-5-6-25(28)26(29)14-18)10-21(12-22)19-8-16(3)9-23(13-19)27(30,31)32;1-16(2)11-25(18(4)32)23-13-21(19-7-9-24(10-8-19)27(29,30)31)12-22(14-23)20-6-5-17(3)26(28)15-20/h7-16,27H,6H2,1-5H3;5-6,8-15,24H,7H2,1-4H3;6-7,9-16,26H,8H2,1-5H3;5-6,8-15,24H,7H2,1-4H3;5-10,12-16,25H,11H2,1-4H3
InChIKeyFKHSYYGZJBALMP-UHFFFAOYSA-N
XLogP44.71
TPSA85.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds30
Heavy Atoms170
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002409.44
LogP ≤ 544.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one?
The IUPAC name of 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one (CID 158058093) is 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one.
What is the SMILES notation for 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one?
The canonical SMILES for 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one is CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2cc(C)cc(C(F)(F)F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(C)c(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(Cl)c(C(F)(F)F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2cc(C)cc(C(F)(F)F)c2)cc(-c2ccc(Cl)c(F)c2)c1.CC(=O)C(CC(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C)c(F)c2)c1.
What is the InChIKey of 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one?
The InChIKey is FKHSYYGZJBALMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28F6O.C28H25ClF6O.C28H28F4O.C27H25ClF4O.C27H26F4O/c1-16(2)6-27(19(5)36)24-12-22(20-7-17(3)9-25(14-20)28(30,31)32)11-23(13-24)21-8-18(4)10-26(15-21)29(33,34)35;1-15(2)7-24(17(4)36)22-11-20(18-5-6-26(29)25(14-18)28(33,34)35)10-21(12-22)19-8-16(3)9-23(13-19)27(30,31)32;1-16(2)8-26(19(5)33)24-12-22(20-7-6-18(4)27(29)15-20)11-23(13-24)21-9-17(3)10-25(14-21)28(30,31)32;1-15(2)7-24(17(4)33)22-11-20(18-5-6-25(28)26(29)14-18)10-21(12-22)19-8-16(3)9-23(13-19)27(30,31)32;1-16(2)11-25(18(4)32)23-13-21(19-7-9-24(10-8-19)27(29,30)31)12-22(14-23)20-6-5-17(3)26(28)15-20/h7-16,27H,6H2,1-5H3;5-6,8-15,24H,7H2,1-4H3;6-7,9-16,26H,8H2,1-5H3;5-6,8-15,24H,7H2,1-4H3;5-10,12-16,25H,11H2,1-4H3.
What are the key properties of 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one?
3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one has a molecular weight of 2409.44 g/mol, XLogP of 44.71, 30 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-bis[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(4-chloro-3-fluorophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-[4-chloro-3-(trifluoromethyl)phenyl]-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one;3-[3-(3-fluoro-4-methylphenyl)-5-[4-(trifluoromethyl)phenyl]phenyl]-5-methylhexan-2-one is sourced from PubChem (CID 158058093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).