2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene

C31H19Cl2F3 — CID 130359097

IUPAC2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(F)c(Cl)c5)c(Cl)c4)cc3F)cc2F)cc1
InChIInChI=1S/C31H19Cl2F3/c1-18-2-4-19(5-3-18)25-12-8-23(17-31(25)36)26-11-7-21(16-30(26)35)20-6-10-24(27(32)14-20)22-9-13-29(34)28(33)15-22/h2-17H,1H3
InChIKeyANKQSXDOVJLAQB-UHFFFAOYSA-N
MW519.39 g/mol
LogP10.39
Rot. Bonds4

About 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene

2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene (PubChem CID 130359097) has the molecular formula C31H19Cl2F3 and a molecular weight of 519.39 g/mol. Its IUPAC name is 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
PubChem CID130359097
Molecular FormulaC31H19Cl2F3
Molecular Weight519.39 g/mol
Exact Mass518.08
IUPAC Name2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene
SMILESCc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(F)c(Cl)c5)c(Cl)c4)cc3F)cc2F)cc1
InChIInChI=1S/C31H19Cl2F3/c1-18-2-4-19(5-3-18)25-12-8-23(17-31(25)36)26-11-7-21(16-30(26)35)20-6-10-24(27(32)14-20)22-9-13-29(34)28(33)15-22/h2-17H,1H3
InChIKeyANKQSXDOVJLAQB-UHFFFAOYSA-N
XLogP10.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.39
LogP ≤ 510.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-chloro-2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]benzene;ethane
CID 143948074
2-fluoro-1-[3-fluoro-4-(4-methylphenyl)phenyl]-4-(4-methylphenyl)benzene;methane
CID 161341950
1-chloro-2-fluoro-3-[3-fluoro-4-(4-methylphenyl)phenyl]benzene
CID 58058665
2-fluoro-1-(4-iodophenyl)-4-(4-methylphenyl)benzene
CID 130468833
23-chloroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 102127640
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 59814115
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-methylphenyl)phenyl]phenyl]benzene
CID 158177832
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
2,3-difluoro-1-[2-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]-4-methylbenzene
CID 58756075
[2-(3-chloro-4-fluorophenyl)-5-methylphenyl]carbamic acid
CID 69312478
2-chloro-1-fluoro-4-methylbenzene;ethane
CID 142940012
2-fluoro-1-(2-fluoro-4-methylphenyl)-4-methylbenzene;2-fluoro-1-methyl-4-(4-methylphenyl)benzene;2-fluoro-4-methyl-1-(4-methylphenyl)benzene
CID 144612336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene?
The IUPAC name of 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene (CID 130359097) is 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene is Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(F)c(Cl)c5)c(Cl)c4)cc3F)cc2F)cc1.
What is the InChIKey of 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene?
The InChIKey is ANKQSXDOVJLAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19Cl2F3/c1-18-2-4-19(5-3-18)25-12-8-23(17-31(25)36)26-11-7-21(16-30(26)35)20-6-10-24(27(32)14-20)22-9-13-29(34)28(33)15-22/h2-17H,1H3.
What are the key properties of 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene?
2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene has a molecular weight of 519.39 g/mol, XLogP of 10.39, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-chloro-4-[3-fluoro-4-[3-fluoro-4-(4-methylphenyl)phenyl]phenyl]phenyl]-1-fluorobenzene is sourced from PubChem (CID 130359097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).