1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)

C117H102BF8IO2P4PdSi — CID 162222325

IUPAC1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)
SMILESCCCc1ccc(-c2cc(F)c(-c3cc(F)c([Si](C)(C)C)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2cc(F)c(I)c(F)c2)cc1.OB(O)c1cc(F)cc(F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24F4Si.4C18H15P.C15H13F2I.C6H5BF2O2.Pd/c1-5-6-15-7-9-16(10-8-15)17-11-19(25)23(20(26)12-17)18-13-21(27)24(22(28)14-18)29(2,3)4;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-10-4-6-11(7-5-10)12-8-13(16)15(18)14(17)9-12;8-5-1-4(7(10)11)2-6(9)3-5;/h7-14H,5-6H2,1-4H3;4*1-15H;4-9H,2-3H2,1H3;1-3,10-11H;
InChIKeyZUHFALFDJCDNLP-UHFFFAOYSA-N
MW2088.20 g/mol
LogP25.68
Rot. Bonds21

About 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)

1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane) (PubChem CID 162222325) has the molecular formula C117H102BF8IO2P4PdSi and a molecular weight of 2088.20 g/mol. Its IUPAC name is 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane).

Molecular Properties

Compound Name1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)
PubChem CID162222325
Molecular FormulaC117H102BF8IO2P4PdSi
Molecular Weight2088.20 g/mol
Exact Mass2086.46
IUPAC Name1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)
SMILESCCCc1ccc(-c2cc(F)c(-c3cc(F)c([Si](C)(C)C)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2cc(F)c(I)c(F)c2)cc1.OB(O)c1cc(F)cc(F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24F4Si.4C18H15P.C15H13F2I.C6H5BF2O2.Pd/c1-5-6-15-7-9-16(10-8-15)17-11-19(25)23(20(26)12-17)18-13-21(27)24(22(28)14-18)29(2,3)4;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-10-4-6-11(7-5-10)12-8-13(16)15(18)14(17)9-12;8-5-1-4(7(10)11)2-6(9)3-5;/h7-14H,5-6H2,1-4H3;4*1-15H;4-9H,2-3H2,1H3;1-3,10-11H;
InChIKeyZUHFALFDJCDNLP-UHFFFAOYSA-N
XLogP25.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds21
Heavy Atoms135
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002088.20
LogP ≤ 525.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane) with MolForge

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Related Compounds

[2,6-difluoro-4-(4-propylphenyl)phenyl]-[(4-fluorophenyl)methyl]-dimethylsilane
CID 59386273
1,3-difluoro-5-(4-propylphenyl)-2-(3,4,5-trifluorophenyl)benzene
CID 86196386
[2-fluoro-4-[4-(4-propylphenyl)phenyl]phenyl]-trimethylsilane
CID 11002971
2-(3,4-difluorophenyl)-1,3-difluoro-5-[4-(2-phenylethyl)phenyl]benzene
CID 163699414
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
1-[3,5-difluoro-4-(4-propylphenyl)phenyl]-2,3-difluoro-4-iodobenzene
CID 10983546
5-[(4-bromophenyl)-difluoromethoxy]-1,2,3-trifluorobenzene;dichloropalladium;5-[difluoro-[4-[2-fluoro-4-(4-propylphenyl)phenyl]phenyl]methoxy]-1,2,3-trifluorobenzene;[2-fluoro-4-(4-propylphenyl)phenyl]boronic acid;bis(triphenylphosphane)
CID 157101429
2-(4-cyclobutylphenyl)-1,3-difluoro-5-(4-propylphenyl)benzene
CID 166999626
CID 159241908
CID 159241908
1-fluoro-2,3-dimethyl-5-(4-propylphenyl)benzene
CID 143260820
CID 175306290
CID 175306290
magnesium;1-phenyl-4-propylbenzene;bromide
CID 172966719

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)?
The IUPAC name of 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane) (CID 162222325) is 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane).
What is the SMILES notation for 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)?
The canonical SMILES for 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane) is CCCc1ccc(-c2cc(F)c(-c3cc(F)c([Si](C)(C)C)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2cc(F)c(I)c(F)c2)cc1.OB(O)c1cc(F)cc(F)c1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)?
The InChIKey is ZUHFALFDJCDNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4Si.4C18H15P.C15H13F2I.C6H5BF2O2.Pd/c1-5-6-15-7-9-16(10-8-15)17-11-19(25)23(20(26)12-17)18-13-21(27)24(22(28)14-18)29(2,3)4;4*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2-3-10-4-6-11(7-5-10)12-8-13(16)15(18)14(17)9-12;8-5-1-4(7(10)11)2-6(9)3-5;/h7-14H,5-6H2,1-4H3;4*1-15H;4-9H,2-3H2,1H3;1-3,10-11H;.
What are the key properties of 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane)?
1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane) has a molecular weight of 2088.20 g/mol, XLogP of 25.68, 21 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-iodo-5-(4-propylphenyl)benzene;(3,5-difluorophenyl)boronic acid;[4-[2,6-difluoro-4-(4-propylphenyl)phenyl]-2,6-difluorophenyl]-trimethylsilane;palladium;tetrakis(triphenylphosphane) is sourced from PubChem (CID 162222325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).