bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium

C24H34I+ — CID 175898268

IUPACbis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C([2H])([2H])[2H])c1[I+]c1c(C([2H])([2H])[2H])cc(C(C)(C)C)cc1C([2H])([2H])[2H]
InChIInChI=1S/C24H34I/c1-15-11-19(23(5,6)7)12-16(2)21(15)25-22-17(3)13-20(14-18(22)4)24(8,9)10/h11-14H,1-10H3/q+1/i1D3,2D3,3D3,4D3
InChIKeyCMHQWSVZOUHPHX-MGKWXGLJSA-N
MW461.51 g/mol
LogP3.64
Rot. Bonds6

About bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium

bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium (PubChem CID 175898268) has the molecular formula C24H34I+ and a molecular weight of 461.51 g/mol. Its IUPAC name is bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium.

Molecular Properties

Compound Namebis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium
PubChem CID175898268
Molecular FormulaC24H34I+
Molecular Weight461.51 g/mol
Exact Mass461.25
IUPAC Namebis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium
SMILES[2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C([2H])([2H])[2H])c1[I+]c1c(C([2H])([2H])[2H])cc(C(C)(C)C)cc1C([2H])([2H])[2H]
InChIInChI=1S/C24H34I/c1-15-11-19(23(5,6)7)12-16(2)21(15)25-22-17(3)13-20(14-18(22)4)24(8,9)10/h11-14H,1-10H3/q+1/i1D3,2D3,3D3,4D3
InChIKeyCMHQWSVZOUHPHX-MGKWXGLJSA-N
XLogP3.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.51
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-methyl-5-(trideuteriomethyl)benzene
CID 165028726
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
1-tert-butyl-3,5-bis(1,1,1,2-tetradeuteriopropan-2-yl)benzene
CID 153244950
5-tert-butyl-1,3-dimethyl-2-(trifluoromethyl)benzene
CID 116964832
5-tert-butyl-2-[(4-tert-butyl-2-iodo-6-methylphenyl)methyl]-1-iodo-3-methylbenzene
CID 21043173
2,3-bis(4-tert-butyl-2,6-dimethylphenyl)cycloprop-2-en-1-one
CID 164518953
2-(4-tert-butyl-2,6-dimethylphenyl)cyclopropan-1-amine
CID 82471982
1-tert-butyl-4-[4-(4-tert-butylphenyl)phenyl]-2-methylbenzene
CID 165165056
(4-tert-butyl-2,6-dimethylphenyl)-(oxiran-2-yl)methanone
CID 116826456
CID 15962849
CID 15962849
1,3-ditert-butyl-5-(2,3,4,5-tetramethylcyclopenta-2,4-dien-1-yl)benzene
CID 102260894

Frequently Asked Questions

What is the IUPAC name of bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium?
The IUPAC name of bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium (CID 175898268) is bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium.
What is the SMILES notation for bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium?
The canonical SMILES for bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium is [2H]C([2H])([2H])c1cc(C(C)(C)C)cc(C([2H])([2H])[2H])c1[I+]c1c(C([2H])([2H])[2H])cc(C(C)(C)C)cc1C([2H])([2H])[2H].
What is the InChIKey of bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium?
The InChIKey is CMHQWSVZOUHPHX-MGKWXGLJSA-N. The full InChI is InChI=1S/C24H34I/c1-15-11-19(23(5,6)7)12-16(2)21(15)25-22-17(3)13-20(14-18(22)4)24(8,9)10/h11-14H,1-10H3/q+1/i1D3,2D3,3D3,4D3.
What are the key properties of bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium?
bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium has a molecular weight of 461.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]iodanium is sourced from PubChem (CID 175898268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).