[1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

C74H50N4OPt — CID 168796920

About [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum

[1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (PubChem CID 168796920) has the molecular formula C74H50N4OPt and a molecular weight of 1206.32 g/mol. Its IUPAC name is [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• PubChem CID: 168796920
• Molecular Formula: C74H50N4OPt
• Molecular Weight: 1206.32 g/mol
• Exact Mass: 1205.36
• IUPAC Name: [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum
• SMILES: Cc1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccc(-c2ccccc2)cc1
• InChI: InChI=1S/C74H50N4O.Pt/c1-50-45-72(75-48-63(50)55-41-39-52(40-42-55)51-21-5-2-6-22-51)78-68-36-16-15-35-66(68)74(64-33-13-11-29-61(64)62-30-12-14-34-65(62)74)67-44-43-58(47-71(67)78)79-57-28-19-27-56(46-57)76-49-77(70-38-18-17-37-69(70)76)73-59(53-23-7-3-8-24-53)31-20-32-60(73)54-25-9-4-10-26-54;/h2-48H,1H3
• InChIKey: ZGKMMYDWWNHNPI-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 35.22 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1206.32
LogP ≤ 5	18.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum (CID 168796920) is [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is Cc1cc(N2c3ccccc3C3(c4ccccc4-c4ccccc43)c3ccc(Oc4cccc(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)c4)cc32)ncc1-c1ccc(-c2ccccc2)cc1.

What is the InChIKey of [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

The InChIKey is ZGKMMYDWWNHNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H50N4O.Pt/c1-50-45-72(75-48-63(50)55-41-39-52(40-42-55)51-21-5-2-6-22-51)78-68-36-16-15-35-66(68)74(64-33-13-11-29-61(64)62-30-12-14-34-65(62)74)67-44-43-58(47-71(67)78)79-57-28-19-27-56(46-57)76-49-77(70-38-18-17-37-69(70)76)73-59(53-23-7-3-8-24-53)31-20-32-60(73)54-25-9-4-10-26-54;/h2-48H,1H3;.

What are the key properties of [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum?

[1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum has a molecular weight of 1206.32 g/mol, XLogP of 18.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(2,6-diphenylphenyl)-3-[3-[10-[4-methyl-5-(4-phenylphenyl)-2-pyridinyl]spiro[acridine-9,9'-fluorene]-3-yl]oxyphenyl]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).