(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene

C23H21F5I+ — CID 159687848

IUPAC(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene
SMILESCc1c(F)c(F)c(F)c(F)c1F.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H18I.C7H3F5/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;1-2-3(8)5(10)7(12)6(11)4(2)9/h4-12H,1-3H3;1H3/q+1;
InChIKeyMWAJSMYSDMUPPX-UHFFFAOYSA-N
MW519.32 g/mol
LogP3.94
Rot. Bonds3

About (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene

(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene (PubChem CID 159687848) has the molecular formula C23H21F5I+ and a molecular weight of 519.32 g/mol. Its IUPAC name is (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene.

Molecular Properties

Compound Name(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene
PubChem CID159687848
Molecular FormulaC23H21F5I+
Molecular Weight519.32 g/mol
Exact Mass519.06
IUPAC Name(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene
SMILESCc1c(F)c(F)c(F)c(F)c1F.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C16H18I.C7H3F5/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;1-2-3(8)5(10)7(12)6(11)4(2)9/h4-12H,1-3H3;1H3/q+1;
InChIKeyMWAJSMYSDMUPPX-UHFFFAOYSA-N
XLogP3.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium chloride
CID 71349867
methane;(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium
CID 160535217
tris(1-methyl-4-propan-2-ylbenzene);dihydrochloride
CID 175503400
bis(4-methylphenyl)iodanium
CID 158665540
bis(4-methylphenyl)iodanium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 22035133
1-methyl-4-propan-2-ylbenzene;ruthenium(3+);triiodide
CID 175881712
1-methyl-4-propan-2-ylbenzene;ruthenium(2+);dichloride
CID 11551268
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
[4-[3,5-bis(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)phenyl]-2,3,5,6-tetrafluorophenyl]-(2,3,5,6-tetrafluoro-4-methylphenyl)-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]boranuide;bis[4-(3-bicyclo[4.2.0]octa-1(6),2,4-trienyl)-2,3,5,6-tetrafluorophenyl]-bis[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]boranuide;tris((4-methylphenyl)-(4-propan-2-ylphenyl)iodanium);(2,3,5,6-tetrafluoro-4-methylphenyl)-tris[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]boranuide
CID 165086194
(4-tert-butylphenyl)-(4-methylphenyl)iodanium;(4-ethenylphenyl)-(4-propan-2-ylphenyl)iodanium;(4-ethenyl-2,3,5,6-tetrafluorophenyl)-tris(2,3,4,5,6-pentafluorophenyl)boranuide;tetrakis(4-ethenyl-2,3,5,6-tetrafluorophenyl)boranuide
CID 158403235
bis(dichloroosmium);bis(1-methyl-4-propan-2-ylbenzene)
CID 10952856
dichlororuthenium;1-methyl-4-propan-2-ylbenzene
CID 11141294

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene?
The IUPAC name of (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene (CID 159687848) is (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene.
What is the SMILES notation for (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene?
The canonical SMILES for (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene is Cc1c(F)c(F)c(F)c(F)c1F.Cc1ccc([I+]c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene?
The InChIKey is MWAJSMYSDMUPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18I.C7H3F5/c1-12(2)14-6-10-16(11-7-14)17-15-8-4-13(3)5-9-15;1-2-3(8)5(10)7(12)6(11)4(2)9/h4-12H,1-3H3;1H3/q+1;.
What are the key properties of (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene?
(4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene has a molecular weight of 519.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-(4-propan-2-ylphenyl)iodanium;1,2,3,4,5-pentafluoro-6-methylbenzene is sourced from PubChem (CID 159687848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).