[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

C52H31FN6OPt-2 — CID 165167769

About [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (PubChem CID 165167769) has the molecular formula C52H31FN6OPt-2 and a molecular weight of 969.94 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
• PubChem CID: 165167769
• Molecular Formula: C52H31FN6OPt-2
• Molecular Weight: 969.94 g/mol
• Exact Mass: 969.22
• IUPAC Name: [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum
• SMILES: Fc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ncccn1
• InChI: InChI=1S/C52H31FN6O.Pt/c53-45-32-50(56-33-44(45)52-54-28-13-29-55-52)59-46-23-8-7-20-42(46)43-27-26-39(31-49(43)59)60-38-19-11-18-37(30-38)57-34-58(48-25-10-9-24-47(48)57)51-40(35-14-3-1-4-15-35)21-12-22-41(51)36-16-5-2-6-17-36;/h1-29,32-33H;/q-2
• InChIKey: DGGKAHQSQIMYIN-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 62.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	969.94
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum (CID 165167769) is [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is Fc1cc(-n2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3c3ccccc32)ncc1-c1ncccn1.

What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

The InChIKey is DGGKAHQSQIMYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H31FN6O.Pt/c53-45-32-50(56-33-44(45)52-54-28-13-29-55-52)59-46-23-8-7-20-42(46)43-27-26-39(31-49(43)59)60-38-19-11-18-37(30-38)57-34-58(48-25-10-9-24-47(48)57)51-40(35-14-3-1-4-15-35)21-12-22-41(51)36-16-5-2-6-17-36;/h1-29,32-33H;/q-2;.

What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum?

[1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum has a molecular weight of 969.94 g/mol, XLogP of 12.31, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,6-diphenylphenyl)-3-[3-[[9-(4-fluoro-5-pyrimidin-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).