4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)

C44H32N4O2Pt — CID 168843935

IUPAC4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)
SMILESOc1c(CCc2[c-]c(-c3nccn3-c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)cc2c(oc3ccccc32)c1N1C=CN[CH-]1.[Pt+2]
InChIInChI=1S/C44H32N4O2.Pt/c49-42-33(28-38-37-17-7-8-20-39(37)50-43(38)41(42)47-25-23-45-29-47)22-21-30-11-9-16-34(27-30)44-46-24-26-48(44)40-35(31-12-3-1-4-13-31)18-10-19-36(40)32-14-5-2-6-15-32;/h1-20,23-26,28-29,45,49H,21-22H2;/q-2;+2
InChIKeyMIPRVGMQHBBIPB-UHFFFAOYSA-N
MW843.84 g/mol
LogP10.06
Rot. Bonds8

About 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)

4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+) (PubChem CID 168843935) has the molecular formula C44H32N4O2Pt and a molecular weight of 843.84 g/mol. Its IUPAC name is 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+).

Molecular Properties

Compound Name4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)
PubChem CID168843935
Molecular FormulaC44H32N4O2Pt
Molecular Weight843.84 g/mol
Exact Mass843.22
IUPAC Name4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)
SMILESOc1c(CCc2[c-]c(-c3nccn3-c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)cc2c(oc3ccccc32)c1N1C=CN[CH-]1.[Pt+2]
InChIInChI=1S/C44H32N4O2.Pt/c49-42-33(28-38-37-17-7-8-20-39(37)50-43(38)41(42)47-25-23-45-29-47)22-21-30-11-9-16-34(27-30)44-46-24-26-48(44)40-35(31-12-3-1-4-13-31)18-10-19-36(40)32-14-5-2-6-15-32;/h1-20,23-26,28-29,45,49H,21-22H2;/q-2;+2
InChIKeyMIPRVGMQHBBIPB-UHFFFAOYSA-N
XLogP10.06
TPSA66.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500843.84
LogP ≤ 510.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+) with MolForge

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Related Compounds

2-(3H-dibenzofuran-3-id-2-yl)-1-(2,6-diphenylphenyl)imidazole;iridium
CID 58947482
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)imidazole;iridium;2-phenylpyridine
CID 166010889
6-dibenzofuran-4-ylimidazo[1,2-a]pyridine
CID 46942694
1-[2,6-di(propan-2-yl)phenyl]-2-[7-(6-phenyldibenzofuran-2-yl)dibenzofuran-4-yl]imidazole
CID 164760359
1-dibenzofuran-1-yl-2-phenylimidazole
CID 58400945
2-[2-(3-dibenzofuran-4-ylisoquinolin-1-yl)ethyl]-6-(1-methylimidazol-2-yl)phenol
CID 168843921
1-[2,4-di(propan-2-yl)dibenzofuran-3-yl]-2-phenylimidazole;iridium
CID 58400868
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
2-(3-chlorophenyl)-4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazine
CID 135143486
1-[1,3-bis(2-methylpropyl)dibenzofuran-2-yl]-2-phenylimidazole
CID 58400883
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-8-yl]-[1]benzofuro[2,3-c]pyridine
CID 168746129
1-[2,4-di(propan-2-yl)dibenzofuran-1-yl]-2-phenylimidazole
CID 58400936

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)?
The IUPAC name of 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+) (CID 168843935) is 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+).
What is the SMILES notation for 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)?
The canonical SMILES for 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+) is Oc1c(CCc2[c-]c(-c3nccn3-c3c(-c4ccccc4)cccc3-c3ccccc3)ccc2)cc2c(oc3ccccc32)c1N1C=CN[CH-]1.[Pt+2].
What is the InChIKey of 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)?
The InChIKey is MIPRVGMQHBBIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H32N4O2.Pt/c49-42-33(28-38-37-17-7-8-20-39(37)50-43(38)41(42)47-25-23-45-29-47)22-21-30-11-9-16-34(27-30)44-46-24-26-48(44)40-35(31-12-3-1-4-13-31)18-10-19-36(40)32-14-5-2-6-15-32;/h1-20,23-26,28-29,45,49H,21-22H2;/q-2;+2.
What are the key properties of 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+)?
4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+) has a molecular weight of 843.84 g/mol, XLogP of 10.06, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-dihydroimidazol-2-id-3-yl)-2-[2-[3-[1-(2,6-diphenylphenyl)imidazol-2-yl]benzene-2-id-1-yl]ethyl]dibenzofuran-3-ol;platinum(2+) is sourced from PubChem (CID 168843935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).