4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)

C21H14F4N4Pt — CID 58704856

IUPAC4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)
SMILESCn1cc(-c2[c-]cc(F)cc2F)nc1Cc1nc(-c2[c-]cc(F)cc2F)cn1C.[Pt+2]
InChIInChI=1S/C21H14F4N4.Pt/c1-28-10-18(14-5-3-12(22)7-16(14)24)26-20(28)9-21-27-19(11-29(21)2)15-6-4-13(23)8-17(15)25;/h3-4,7-8,10-11H,9H2,1-2H3;/q-2;+2
InChIKeyUELUNICDZCABBU-UHFFFAOYSA-N
MW593.44 g/mol
LogP4.23
Rot. Bonds4

About 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)

4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+) (PubChem CID 58704856) has the molecular formula C21H14F4N4Pt and a molecular weight of 593.44 g/mol. Its IUPAC name is 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+).

Molecular Properties

Compound Name4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)
PubChem CID58704856
Molecular FormulaC21H14F4N4Pt
Molecular Weight593.44 g/mol
Exact Mass593.08
IUPAC Name4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)
SMILESCn1cc(-c2[c-]cc(F)cc2F)nc1Cc1nc(-c2[c-]cc(F)cc2F)cn1C.[Pt+2]
InChIInChI=1S/C21H14F4N4.Pt/c1-28-10-18(14-5-3-12(22)7-16(14)24)26-20(28)9-21-27-19(11-29(21)2)15-6-4-13(23)8-17(15)25;/h3-4,7-8,10-11H,9H2,1-2H3;/q-2;+2
InChIKeyUELUNICDZCABBU-UHFFFAOYSA-N
XLogP4.23
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+) with MolForge

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Related Compounds

2,4-bis(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazole;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413501
3-[2-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413517
3-[2-(2,6-difluoro-4H-pyridin-4-id-3-yl)-1-methylimidazol-4-yl]-2,6-difluoro-4H-pyridin-4-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413532
3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]-2,6-difluoro-4H-pyridin-4-ide;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413534
3-[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]-5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-diene;iridium;1-methyl-3-[3-(3-methyl-2H-imidazol-2-id-1-yl)-5-(trifluoromethyl)benzene-2-id-1-yl]-2H-imidazol-2-ide
CID 167413539
CID 167413549
CID 167413549
CID 57759284
CID 57759284
CID 57759718
CID 57759718
1-Methyl-4-[2-(1-methyl-2-phenylimidazol-4-yl)propan-2-yl]-2-phenylimidazole;platinum(2+)
CID 58162154
Bis(2-tert-butyl-1-methyl-4-phenylimidazole);difluoroiridium(1+);iridium
CID 58163247
Tris(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);iridium(3+)
CID 58401349
Bis(4-(2,4-dimethylbenzene-6-id-1-yl)-1-methylimidazole);platinum(2+)
CID 58401799

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)?
The IUPAC name of 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+) (CID 58704856) is 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+).
What is the SMILES notation for 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)?
The canonical SMILES for 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+) is Cn1cc(-c2[c-]cc(F)cc2F)nc1Cc1nc(-c2[c-]cc(F)cc2F)cn1C.[Pt+2].
What is the InChIKey of 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)?
The InChIKey is UELUNICDZCABBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N4.Pt/c1-28-10-18(14-5-3-12(22)7-16(14)24)26-20(28)9-21-27-19(11-29(21)2)15-6-4-13(23)8-17(15)25;/h3-4,7-8,10-11H,9H2,1-2H3;/q-2;+2.
What are the key properties of 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+)?
4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+) has a molecular weight of 593.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorobenzene-6-id-1-yl)-2-[[4-(2,4-difluorobenzene-6-id-1-yl)-1-methylimidazol-2-yl]methyl]-1-methylimidazole;platinum(2+) is sourced from PubChem (CID 58704856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).