2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)

C59H41N3O3Pt — CID 170543560

IUPAC2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)
SMILESCC(C)(C)Cc1ccc(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4ccccc4-c4ccccc4)c4oc5cc(-c6ccc7c(c6)oc6ccccc67)ccc5c4c3)ccc2)nc1.[Pt+2]
InChIInChI=1S/C59H41N3O3.Pt/c1-59(2,3)35-37-24-29-50(60-36-37)41-16-13-17-42(30-41)63-43-33-48-47-28-26-40(39-25-27-46-45-19-8-12-23-54(45)64-55(46)31-39)32-56(47)65-57(48)49(34-43)58-61-51-20-9-11-22-53(51)62(58)52-21-10-7-18-44(52)38-14-5-4-6-15-38;/h4-29,31-33,36H,35H2,1-3H3;/q-2;+2
InChIKeyYYVXCBUVIGWVHJ-UHFFFAOYSA-N
MW1035.07 g/mol
LogP15.87
Rot. Bonds8

About 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)

2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+) (PubChem CID 170543560) has the molecular formula C59H41N3O3Pt and a molecular weight of 1035.07 g/mol. Its IUPAC name is 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+).

Molecular Properties

Compound Name2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)
PubChem CID170543560
Molecular FormulaC59H41N3O3Pt
Molecular Weight1035.07 g/mol
Exact Mass1034.28
IUPAC Name2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)
SMILESCC(C)(C)Cc1ccc(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4ccccc4-c4ccccc4)c4oc5cc(-c6ccc7c(c6)oc6ccccc67)ccc5c4c3)ccc2)nc1.[Pt+2]
InChIInChI=1S/C59H41N3O3.Pt/c1-59(2,3)35-37-24-29-50(60-36-37)41-16-13-17-42(30-41)63-43-33-48-47-28-26-40(39-25-27-46-45-19-8-12-23-54(45)64-55(46)31-39)32-56(47)65-57(48)49(34-43)58-61-51-20-9-11-22-53(51)62(58)52-21-10-7-18-44(52)38-14-5-4-6-15-38;/h4-29,31-33,36H,35H2,1-3H3;/q-2;+2
InChIKeyYYVXCBUVIGWVHJ-UHFFFAOYSA-N
XLogP15.87
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms66
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.07
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)?
The IUPAC name of 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+) (CID 170543560) is 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+).
What is the SMILES notation for 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)?
The canonical SMILES for 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+) is CC(C)(C)Cc1ccc(-c2[c-]c(Oc3[c-]c(-c4nc5ccccc5n4-c4ccccc4-c4ccccc4)c4oc5cc(-c6ccc7c(c6)oc6ccccc67)ccc5c4c3)ccc2)nc1.[Pt+2].
What is the InChIKey of 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)?
The InChIKey is YYVXCBUVIGWVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H41N3O3.Pt/c1-59(2,3)35-37-24-29-50(60-36-37)41-16-13-17-42(30-41)63-43-33-48-47-28-26-40(39-25-27-46-45-19-8-12-23-54(45)64-55(46)31-39)32-56(47)65-57(48)49(34-43)58-61-51-20-9-11-22-53(51)62(58)52-21-10-7-18-44(52)38-14-5-4-6-15-38;/h4-29,31-33,36H,35H2,1-3H3;/q-2;+2.
What are the key properties of 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+)?
2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+) has a molecular weight of 1035.07 g/mol, XLogP of 15.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-dibenzofuran-3-yl-2-[3-[5-(2,2-dimethylpropyl)-2-pyridinyl]benzene-2-id-1-yl]oxy-3H-dibenzofuran-3-id-4-yl]-1-(2-phenylphenyl)benzimidazole;platinum(2+) is sourced from PubChem (CID 170543560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).