1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)

C25H26U — CID 170611080

IUPAC1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)
SMILES[CH2-]C(c1ccc(C)c(C)c1)C(c1[c-]cc(C)cc1)c1ccc(C)cc1.[U+2]
InChIInChI=1S/C25H26.U/c1-17-6-11-22(12-7-17)25(23-13-8-18(2)9-14-23)21(5)24-15-10-19(3)20(4)16-24;/h6-13,15-16,21,25H,5H2,1-4H3;/q-2;+2
InChIKeyIRLKELHYDSTQLI-UHFFFAOYSA-N
MW564.51 g/mol
LogP6.47
Rot. Bonds4

About 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)

1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+) (PubChem CID 170611080) has the molecular formula C25H26U and a molecular weight of 564.51 g/mol. Its IUPAC name is 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+).

Molecular Properties

Compound Name1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)
PubChem CID170611080
Molecular FormulaC25H26U
Molecular Weight564.51 g/mol
Exact Mass564.25
IUPAC Name1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)
SMILES[CH2-]C(c1ccc(C)c(C)c1)C(c1[c-]cc(C)cc1)c1ccc(C)cc1.[U+2]
InChIInChI=1S/C25H26.U/c1-17-6-11-22(12-7-17)25(23-13-8-18(2)9-14-23)21(5)24-15-10-19(3)20(4)16-24;/h6-13,15-16,21,25H,5H2,1-4H3;/q-2;+2
InChIKeyIRLKELHYDSTQLI-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.51
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+) 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

N-[1-(3,4-dimethylphenyl)ethyl]-4-methylaniline
CID 43094074
1-(3,4-dimethylphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65377760
2-(3,4-dimethylphenyl)-2-(4-methylanilino)acetonitrile
CID 54886362
carbanide;1,4-dimethylbenzene-6-ide;rhenium;rhodium;rutherfordium;1,2,4-trimethylbenzene;yttrium
CID 159405287
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
3-(3,4-dimethylphenyl)-3-(4-methylphenyl)propan-1-ol
CID 82088502
1,2-dimethyl-4-propan-2-ylbenzene;ethane
CID 142019921
1,2-dimethyl-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylbenzene;methane;1-methyl-3-propan-2-ylbenzene;1-methyl-4-propan-2-ylbenzene;1,2,3-trimethyl-5-propan-2-ylbenzene
CID 158783071
1,2,4-trimethylbenzene
CID 7247
2-chloro-1-[chloro-(3,4-dimethylphenyl)methyl]-4-methylbenzene
CID 106862844
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
carbanide;ethane;1-ethyl-4-methylbenzene-6-ide;1-methyl-4-propan-2-ylbenzene-5-ide;tungsten;bis(tungsten(2+))
CID 158638059

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)?
The IUPAC name of 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+) (CID 170611080) is 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+).
What is the SMILES notation for 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)?
The canonical SMILES for 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+) is [CH2-]C(c1ccc(C)c(C)c1)C(c1[c-]cc(C)cc1)c1ccc(C)cc1.[U+2].
What is the InChIKey of 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)?
The InChIKey is IRLKELHYDSTQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26.U/c1-17-6-11-22(12-7-17)25(23-13-8-18(2)9-14-23)21(5)24-15-10-19(3)20(4)16-24;/h6-13,15-16,21,25H,5H2,1-4H3;/q-2;+2.
What are the key properties of 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+)?
1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+) has a molecular weight of 564.51 g/mol, XLogP of 6.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-[1-(4-methylbenzene-6-id-1-yl)-1-(4-methylphenyl)propan-2-yl]benzene;uranium(2+) is sourced from PubChem (CID 170611080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).