[1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum

C61H44BN5OPt — CID 177089933

About [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum

[1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum (PubChem CID 177089933) has the molecular formula C61H44BN5OPt and a molecular weight of 1074.98 g/mol. Its IUPAC name is [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 177089933
• Molecular Formula: C61H44BN5OPt
• Molecular Weight: 1074.98 g/mol
• Exact Mass: 1074.37
• IUPAC Name: [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum
• SMILES: [2H]c1c(Oc2cccc(-n3c(=[Pt])n(-c4c(-c5ccccc5)cc(C([2H])([2H])[2H])cc4-c4ccc(-c5ccccc5)cc4)c4ccccc43)c2)nc(N2B(c3ccccc3)N(c3ccccc3)c3ccccc32)c([2H])c1[2H]
• InChI: InChI=1S/C61H44BN5O.Pt/c1-44-40-53(47-22-8-3-9-23-47)61(54(41-44)48-38-36-46(37-39-48)45-20-6-2-7-21-45)65-43-64(55-30-14-15-31-56(55)65)51-28-18-29-52(42-51)68-60-35-19-34-59(63-60)67-58-33-17-16-32-57(58)66(50-26-12-5-13-27-50)62(67)49-24-10-4-11-25-49;/h2-42H,1H3;/i1D3,19D,34D,35D
• InChIKey: UFRDIEIVLNOSBY-QZYKOUASSA-N
• XLogP: 14.68
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1074.98
LogP ≤ 5	14.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum (CID 177089933) is [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum is [2H]c1c(Oc2cccc(-n3c(=[Pt])n(-c4c(-c5ccccc5)cc(C([2H])([2H])[2H])cc4-c4ccc(-c5ccccc5)cc4)c4ccccc43)c2)nc(N2B(c3ccccc3)N(c3ccccc3)c3ccccc32)c([2H])c1[2H].

What is the InChIKey of [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is UFRDIEIVLNOSBY-QZYKOUASSA-N. The full InChI is InChI=1S/C61H44BN5O.Pt/c1-44-40-53(47-22-8-3-9-23-47)61(54(41-44)48-38-36-46(37-39-48)45-20-6-2-7-21-45)65-43-64(55-30-14-15-31-56(55)65)51-28-18-29-52(42-51)68-60-35-19-34-59(63-60)67-58-33-17-16-32-57(58)66(50-26-12-5-13-27-50)62(67)49-24-10-4-11-25-49;/h2-42H,1H3;/i1D3,19D,34D,35D;.

What are the key properties of [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum?

[1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1074.98 g/mol, XLogP of 14.68, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-phenyl-6-(4-phenylphenyl)-4-(trideuteriomethyl)phenyl]-3-[3-[[3,4,5-trideuterio-6-(1,2-diphenyl-1,3,2-benzodiazaborol-3-yl)-2-pyridinyl]oxy]phenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 177089933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).