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

C52H33FN6OPt — CID 165167654

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

[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 165167654) has the molecular formula C52H33FN6OPt and a molecular weight of 971.95 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 165167654
• Molecular Formula: C52H33FN6OPt
• Molecular Weight: 971.95 g/mol
• Exact Mass: 971.23
• IUPAC Name: [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• SMILES: Fc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1cncnc1
• InChI: InChI=1S/C52H33FN6O.Pt/c53-46-29-51(56-32-45(46)37-30-54-33-55-31-37)59-47-22-8-7-19-43(47)44-26-25-40(28-50(44)59)60-39-18-11-17-38(27-39)57-34-58(49-24-10-9-23-48(49)57)52-41(35-13-3-1-4-14-35)20-12-21-42(52)36-15-5-2-6-16-36;/h1-33H
• InChIKey: NGKXQWZAVRXABV-UHFFFAOYSA-N
• XLogP: 12.71
• 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	971.95
LogP ≤ 5	12.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (CID 165167654) is [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

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

The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is Fc1cc(-n2c3ccccc3c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1cncnc1.

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

The InChIKey is NGKXQWZAVRXABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33FN6O.Pt/c53-46-29-51(56-32-45(46)37-30-54-33-55-31-37)59-47-22-8-7-19-43(47)44-26-25-40(28-50(44)59)60-39-18-11-17-38(27-39)57-34-58(49-24-10-9-23-48(49)57)52-41(35-13-3-1-4-14-35)20-12-21-42(52)36-15-5-2-6-16-36;/h1-33H;.

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

[1-(2,6-diphenylphenyl)-3-[3-[9-(4-fluoro-5-pyrimidin-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 971.95 g/mol, XLogP of 12.71, 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-5-yl-2-pyridinyl)carbazol-2-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 165167654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).