1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene

C68H37Cl8F13O — CID 123618809

IUPAC1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene
SMILESCOc1ccc(-c2c(-c3c(C(F)(F)F)ccc(-c4cc(-c5ccc(Cl)cc5Cl)c(F)c(-c5cc(Cl)cc(Cl)c5)c4F)c3C(F)(F)F)ccc(C)c2F)c(C)c1-c1ccc(-c2ccc(Cl)c(-c3ccc(Cl)c(-c4cccc(C(F)(F)F)c4Cl)c3F)c2C)c(Cl)c1C
InChIInChI=1S/C68H37Cl8F13O/c1-28-9-11-42(57-47(66(81,82)83)19-15-40(59(57)68(87,88)89)46-27-45(39-12-10-33(69)26-51(39)74)64(79)55(65(46)80)32-23-34(70)25-35(71)24-32)56(62(28)77)37-18-22-52(90-5)54(30(37)3)38-13-14-41(60(75)31(38)4)36-16-20-49(72)53(29(36)2)44-17-21-50(73)58(63(44)78)43-7-6-8-48(61(43)76)67(84,85)86/h6-27H,1-5H3
InChIKeyUZBYSYZNYVXQSA-UHFFFAOYSA-N
MW1400.64 g/mol
LogP26.77
Rot. Bonds10

About 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene

1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene (PubChem CID 123618809) has the molecular formula C68H37Cl8F13O and a molecular weight of 1400.64 g/mol. Its IUPAC name is 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene
PubChem CID123618809
Molecular FormulaC68H37Cl8F13O
Molecular Weight1400.64 g/mol
Exact Mass1396.01
IUPAC Name1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene
SMILESCOc1ccc(-c2c(-c3c(C(F)(F)F)ccc(-c4cc(-c5ccc(Cl)cc5Cl)c(F)c(-c5cc(Cl)cc(Cl)c5)c4F)c3C(F)(F)F)ccc(C)c2F)c(C)c1-c1ccc(-c2ccc(Cl)c(-c3ccc(Cl)c(-c4cccc(C(F)(F)F)c4Cl)c3F)c2C)c(Cl)c1C
InChIInChI=1S/C68H37Cl8F13O/c1-28-9-11-42(57-47(66(81,82)83)19-15-40(59(57)68(87,88)89)46-27-45(39-12-10-33(69)26-51(39)74)64(79)55(65(46)80)32-23-34(70)25-35(71)24-32)56(62(28)77)37-18-22-52(90-5)54(30(37)3)38-13-14-41(60(75)31(38)4)36-16-20-49(72)53(29(36)2)44-17-21-50(73)58(63(44)78)43-7-6-8-48(61(43)76)67(84,85)86/h6-27H,1-5H3
InChIKeyUZBYSYZNYVXQSA-UHFFFAOYSA-N
XLogP26.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001400.64
LogP ≤ 526.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene with MolForge

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Related Compounds

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2-[3-chloro-4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-5-fluorophenyl]-5-[[2,6-difluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenyl]-difluoromethoxy]-1,3-difluorobenzene
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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene?
The IUPAC name of 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene (CID 123618809) is 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene.
What is the SMILES notation for 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene?
The canonical SMILES for 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene is COc1ccc(-c2c(-c3c(C(F)(F)F)ccc(-c4cc(-c5ccc(Cl)cc5Cl)c(F)c(-c5cc(Cl)cc(Cl)c5)c4F)c3C(F)(F)F)ccc(C)c2F)c(C)c1-c1ccc(-c2ccc(Cl)c(-c3ccc(Cl)c(-c4cccc(C(F)(F)F)c4Cl)c3F)c2C)c(Cl)c1C.
What is the InChIKey of 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene?
The InChIKey is UZBYSYZNYVXQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H37Cl8F13O/c1-28-9-11-42(57-47(66(81,82)83)19-15-40(59(57)68(87,88)89)46-27-45(39-12-10-33(69)26-51(39)74)64(79)55(65(46)80)32-23-34(70)25-35(71)24-32)56(62(28)77)37-18-22-52(90-5)54(30(37)3)38-13-14-41(60(75)31(38)4)36-16-20-49(72)53(29(36)2)44-17-21-50(73)58(63(44)78)43-7-6-8-48(61(43)76)67(84,85)86/h6-27H,1-5H3.
What are the key properties of 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene?
1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene has a molecular weight of 1400.64 g/mol, XLogP of 26.77, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-[3-[3-chloro-4-[4-chloro-3-[4-chloro-3-[2-chloro-3-(trifluoromethyl)phenyl]-2-fluorophenyl]-2-methylphenyl]-2-methylphenyl]-4-methoxy-2-methylphenyl]-3-fluoro-4-methylphenyl]-2,4-bis(trifluoromethyl)phenyl]-5-(2,4-dichlorophenyl)-3-(3,5-dichlorophenyl)-2,4-difluorobenzene is sourced from PubChem (CID 123618809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).