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

C81H79N5OPt-2 — CID 168796997

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

[1-[3-[10-(4-tert-butyl-2-pyridinyl)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum (PubChem CID 168796997) has the molecular formula C81H79N5OPt-2 and a molecular weight of 1333.63 g/mol. Its IUPAC name is [1-[3-[10-(4-tert-butyl-2-pyridinyl)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[10-(4-tert-butyl-2-pyridinyl)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum
• PubChem CID: 168796997
• Molecular Formula: C81H79N5OPt-2
• Molecular Weight: 1333.63 g/mol
• Exact Mass: 1332.59
• IUPAC Name: [1-[3-[10-(4-tert-butyl-2-pyridinyl)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1cc(N2c3ccccc3C3(c4ccc(Oc5[c-]c(-n6c(=[Pt])n(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7cc(-c8ccccc8)ccc76)ccc5)[c-]c4N(c4cc(C(C)(C)C)ccn4)c4ccccc43)c3ccccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C81H79N5O.Pt/c1-76(2,3)55-40-41-82-75(49-55)86-71-35-24-21-32-67(71)81(65-30-19-22-33-69(65)85(70-34-23-20-31-66(70)81)62-47-58(79(10,11)12)44-59(48-62)80(13,14)15)68-38-37-64(51-73(68)86)87-63-29-25-28-60(50-63)83-52-84(61-45-56(77(4,5)6)43-57(46-61)78(7,8)9)74-42-54(36-39-72(74)83)53-26-17-16-18-27-53;/h16-49H,1-15H3;/q-2
• InChIKey: AGKLLXLVIUEGCU-UHFFFAOYSA-N
• XLogP: 21.39
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1333.63
LogP ≤ 5	21.39
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)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[10-(4-tert-butyl-2-pyridinyl)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum (CID 168796997) is [1-[3-[10-(4-tert-butyl-2-pyridinyl)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum.

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

The canonical SMILES for [1-[3-[10-(4-tert-butyl-2-pyridinyl)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum is CC(C)(C)c1cc(N2c3ccccc3C3(c4ccc(Oc5[c-]c(-n6c(=[Pt])n(-c7cc(C(C)(C)C)cc(C(C)(C)C)c7)c7cc(-c8ccccc8)ccc76)ccc5)[c-]c4N(c4cc(C(C)(C)C)ccn4)c4ccccc43)c3ccccc32)cc(C(C)(C)C)c1.

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

The InChIKey is AGKLLXLVIUEGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H79N5O.Pt/c1-76(2,3)55-40-41-82-75(49-55)86-71-35-24-21-32-67(71)81(65-30-19-22-33-69(65)85(70-34-23-20-31-66(70)81)62-47-58(79(10,11)12)44-59(48-62)80(13,14)15)68-38-37-64(51-73(68)86)87-63-29-25-28-60(50-63)83-52-84(61-45-56(77(4,5)6)43-57(46-61)78(7,8)9)74-42-54(36-39-72(74)83)53-26-17-16-18-27-53;/h16-49H,1-15H3;/q-2;.

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

[1-[3-[10-(4-tert-butyl-2-pyridinyl)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum has a molecular weight of 1333.63 g/mol, XLogP of 21.39, 7 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)-10'-(3,5-ditert-butylphenyl)spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)-5-phenylbenzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).