[1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum

C₇₉H₆₇N₅OPt-2 — CID 168796666

About [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796666) has the molecular formula C₇₉H₆₇N₅OPt-2 and a molecular weight of 1297.52 g/mol. Its IUPAC name is [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796666
• Molecular Formula: C₇₉H₆₇N₅OPt-2
• Molecular Weight: 1297.52 g/mol
• Exact Mass: 1296.50
• IUPAC Name: [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1cc(-n2c(=[Pt])n(-c3[c-]c(Oc4[c-]c5c(cc4)C4(c6ccccc6N5c5cc(C(C)(C)C)ccn5)c5cc(-c6ccccc6)ccc5N(c5ccccc5)c5ccc(-c6ccccc6)cc54)ccc3)c3ccccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C79H67N5O.Pt/c1-76(2,3)57-42-43-80-75(49-57)84-69-33-20-19-32-65(69)79(67-44-55(53-24-13-10-14-25-53)36-40-70(67)83(60-28-17-12-18-29-60)71-41-37-56(45-68(71)79)54-26-15-11-16-27-54)66-39-38-64(51-74(66)84)85-63-31-23-30-61(50-63)81-52-82(73-35-22-21-34-72(73)81)62-47-58(77(4,5)6)46-59(48-62)78(7,8)9;/h10-49H,1-9H3;/q-2
• InChIKey: RKKQTRKBVOQNMU-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.52
LogP ≤ 5	20.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum (CID 168796666) is [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1cc(-n2c(=[Pt])n(-c3[c-]c(Oc4[c-]c5c(cc4)C4(c6ccccc6N5c5cc(C(C)(C)C)ccn5)c5cc(-c6ccccc6)ccc5N(c5ccccc5)c5ccc(-c6ccccc6)cc54)ccc3)c3ccccc32)cc(C(C)(C)C)c1.

What is the InChIKey of [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is RKKQTRKBVOQNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H67N5O.Pt/c1-76(2,3)57-42-43-80-75(49-57)84-69-33-20-19-32-65(69)79(67-44-55(53-24-13-10-14-25-53)36-40-70(67)83(60-28-17-12-18-29-60)71-41-37-56(45-68(71)79)54-26-15-11-16-27-54)66-39-38-64(51-74(66)84)85-63-31-23-30-61(50-63)81-52-82(73-35-22-21-34-72(73)81)62-47-58(77(4,5)6)46-59(48-62)78(7,8)9;/h10-49H,1-9H3;/q-2;.

What are the key properties of [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1297.52 g/mol, XLogP of 20.46, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[10-(4-tert-butyl-2-pyridinyl)-2',7',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 168796666 — identifiers, structure, computed properties (public domain)

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