[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C59H44N4OPt-2 — CID 169030746

About [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 169030746) has the molecular formula C59H44N4OPt-2 and a molecular weight of 1020.11 g/mol. Its IUPAC name is [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 169030746
• Molecular Formula: C59H44N4OPt-2
• Molecular Weight: 1020.11 g/mol
• Exact Mass: 1019.32
• IUPAC Name: [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(N2Cc3cc(-c4ccccc4)ccc3-c3ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)[c-]c32)c1
• InChI: InChI=1S/C59H44N4O.Pt/c1-59(2,3)46-33-34-60-57(36-46)61-39-45-35-44(41-17-7-4-8-18-41)29-31-50(45)53-32-30-49(38-56(53)61)64-48-24-15-23-47(37-48)62-40-63(55-28-14-13-27-54(55)62)58-51(42-19-9-5-10-20-42)25-16-26-52(58)43-21-11-6-12-22-43;/h4-36H,39H2,1-3H3;/q-2
• InChIKey: PWZIFIDFBQVDMX-UHFFFAOYSA-N
• XLogP: 14.90
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1020.11
LogP ≤ 5	14.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 169030746) is [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(N2Cc3cc(-c4ccccc4)ccc3-c3ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)[c-]c32)c1.

What is the InChIKey of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is PWZIFIDFBQVDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H44N4O.Pt/c1-59(2,3)46-33-34-60-57(36-46)61-39-45-35-44(41-17-7-4-8-18-41)29-31-50(45)53-32-30-49(38-56(53)61)64-48-24-15-23-47(37-48)62-40-63(55-28-14-13-27-54(55)62)58-51(42-19-9-5-10-20-42)25-16-26-52(58)43-21-11-6-12-22-43;/h4-36H,39H2,1-3H3;/q-2;.

What are the key properties of [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1020.11 g/mol, XLogP of 14.90, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[5-(4-tert-butyl-2-pyridinyl)-8-phenyl-4,6-dihydrophenanthridin-4-id-3-yl]oxy]benzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 169030746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).