1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)

C50H52N4OPt — CID 171723096

IUPAC1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)
SMILESCC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1Cn1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1Cn1ccnc1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C28H27N2O.C22H25N2.Pt/c1-18(2)22-16-23-21-12-8-9-13-25(21)31-27(23)26(19(3)4)24(22)17-30-15-14-29-28(30)20-10-6-5-7-11-20;1-16(2)19-11-8-12-20(17(3)4)21(19)15-24-14-13-23-22(24)18-9-6-5-7-10-18;/h5-10,12-16,18-19H,17H2,1-4H3;5-9,11-14,16-17H,15H2,1-4H3;/q2*-1;+2
InChIKeyNZBPFMJNBXMTNZ-UHFFFAOYSA-N
MW920.07 g/mol
LogP13.19
Rot. Bonds10

About 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)

1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+) (PubChem CID 171723096) has the molecular formula C50H52N4OPt and a molecular weight of 920.07 g/mol. Its IUPAC name is 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+).

Molecular Properties

Compound Name1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)
PubChem CID171723096
Molecular FormulaC50H52N4OPt
Molecular Weight920.07 g/mol
Exact Mass919.38
IUPAC Name1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)
SMILESCC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1Cn1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1Cn1ccnc1-c1[c-]cccc1.[Pt+2]
InChIInChI=1S/C28H27N2O.C22H25N2.Pt/c1-18(2)22-16-23-21-12-8-9-13-25(21)31-27(23)26(19(3)4)24(22)17-30-15-14-29-28(30)20-10-6-5-7-11-20;1-16(2)19-11-8-12-20(17(3)4)21(19)15-24-14-13-23-22(24)18-9-6-5-7-10-18;/h5-10,12-16,18-19H,17H2,1-4H3;5-9,11-14,16-17H,15H2,1-4H3;/q2*-1;+2
InChIKeyNZBPFMJNBXMTNZ-UHFFFAOYSA-N
XLogP13.19
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500920.07
LogP ≤ 513.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;pentakis(1-[2,4-di(propan-2-yl)dibenzothiophen-3-yl]-2-phenylimidazole);bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);pentakis(iridium);bis(2-phenyl-1-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazole)
CID 157479785
CID 140637851
CID 140637851
CID 158857881
CID 158857881
CID 140637801
CID 140637801
CID 58471916
CID 58471916
4-ethyl-3-methyl-2-propan-2-yldibenzofuran
CID 144782623
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole;1-[1,3-bis(2-methylpropyl)dibenzofuran-4-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-1-yl]-2-phenylimidazole;1-[2,4-bis(2-methylpropyl)dibenzofuran-3-yl]-2-phenylimidazole;tetrakis(iridium)
CID 158042556
4-ethyl-3-methyl-2-propan-2-yldibenzofuran;propane
CID 144782622
bis(1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole);iridium(3+);2-phenylpyridine
CID 170539461
1-[2,4-di(propan-2-yl)dibenzothiophen-1-yl]-2-phenylimidazole;iridium
CID 58400900
bis(2-(3H-dibenzofuran-3-id-4-yl)-4,5-dimethylpyridine);bis(2-(3H-dibenzofuran-3-id-4-yl)pyridine);tetrakis(iridium);tetrakis(2-phenyl-1-propan-2-ylimidazole)
CID 159903502

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)?
The IUPAC name of 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+) (CID 171723096) is 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+).
What is the SMILES notation for 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)?
The canonical SMILES for 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+) is CC(C)c1cc2c(oc3ccccc32)c(C(C)C)c1Cn1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1Cn1ccnc1-c1[c-]cccc1.[Pt+2].
What is the InChIKey of 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)?
The InChIKey is NZBPFMJNBXMTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N2O.C22H25N2.Pt/c1-18(2)22-16-23-21-12-8-9-13-25(21)31-27(23)26(19(3)4)24(22)17-30-15-14-29-28(30)20-10-6-5-7-11-20;1-16(2)19-11-8-12-20(17(3)4)21(19)15-24-14-13-23-22(24)18-9-6-5-7-10-18;/h5-10,12-16,18-19H,17H2,1-4H3;5-9,11-14,16-17H,15H2,1-4H3;/q2*-1;+2.
What are the key properties of 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+)?
1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+) has a molecular weight of 920.07 g/mol, XLogP of 13.19, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-di(propan-2-yl)dibenzofuran-3-yl]methyl]-2-phenylimidazole;1-[[2,6-di(propan-2-yl)phenyl]methyl]-2-phenylimidazole;platinum(2+) is sourced from PubChem (CID 171723096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).