1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene

C36H20Cl5F — CID 132838164

IUPAC1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene
SMILESFc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C36H20Cl5F/c37-26-11-1-21(2-12-26)31-32(22-3-13-27(38)14-4-22)34(24-7-17-29(40)18-8-24)36(42)35(25-9-19-30(41)20-10-25)33(31)23-5-15-28(39)16-6-23/h1-20H
InChIKeyIOONJPMKZFFMGP-UHFFFAOYSA-N
MW648.82 g/mol
LogP13.43
Rot. Bonds5

About 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene

1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene (PubChem CID 132838164) has the molecular formula C36H20Cl5F and a molecular weight of 648.82 g/mol. Its IUPAC name is 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene.

Molecular Properties

Compound Name1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene
PubChem CID132838164
Molecular FormulaC36H20Cl5F
Molecular Weight648.82 g/mol
Exact Mass646.00
IUPAC Name1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene
SMILESFc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C36H20Cl5F/c37-26-11-1-21(2-12-26)31-32(22-3-13-27(38)14-4-22)34(24-7-17-29(40)18-8-24)36(42)35(25-9-19-30(41)20-10-25)33(31)23-5-15-28(39)16-6-23/h1-20H
InChIKeyIOONJPMKZFFMGP-UHFFFAOYSA-N
XLogP13.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.82
LogP ≤ 513.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene?
The IUPAC name of 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene (CID 132838164) is 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene.
What is the SMILES notation for 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene?
The canonical SMILES for 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene is Fc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene?
The InChIKey is IOONJPMKZFFMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20Cl5F/c37-26-11-1-21(2-12-26)31-32(22-3-13-27(38)14-4-22)34(24-7-17-29(40)18-8-24)36(42)35(25-9-19-30(41)20-10-25)33(31)23-5-15-28(39)16-6-23/h1-20H.
What are the key properties of 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene?
1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene has a molecular weight of 648.82 g/mol, XLogP of 13.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5-pentakis(4-chlorophenyl)-6-fluorobenzene is sourced from PubChem (CID 132838164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).