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

C75H75N5OPt-2 — CID 168796894

About [1-[3-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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 168796894) has the molecular formula C75H75N5OPt-2 and a molecular weight of 1257.54 g/mol. Its IUPAC name is [1-[3-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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: 168796894
• Molecular Formula: C75H75N5OPt-2
• Molecular Weight: 1257.54 g/mol
• Exact Mass: 1256.56
• IUPAC Name: [1-[3-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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(C(C)(C)C)ccc5N(c5ccccc5)c5ccc(C(C)(C)C)cc54)ccc3)c3ccccc32)cc(C(C)(C)C)c1
• InChI: InChI=1S/C75H75N5O.Pt/c1-70(2,3)49-32-36-64-61(43-49)75(62-44-50(71(4,5)6)33-37-65(62)79(64)54-24-17-16-18-25-54)59-28-19-20-29-63(59)80(69-45-51(38-39-76-69)72(7,8)9)68-47-58(34-35-60(68)75)81-57-27-23-26-55(46-57)77-48-78(67-31-22-21-30-66(67)77)56-41-52(73(10,11)12)40-53(42-56)74(13,14)15;/h16-45H,1-15H3;/q-2
• InChIKey: GJVFHUMYDLUPAU-UHFFFAOYSA-N
• XLogP: 19.72
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1257.54
LogP ≤ 5	19.72
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-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(3,5-ditert-butylphenyl)benzimidazol-2-ylidene]platinum (CID 168796894) is [1-[3-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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(C(C)(C)C)ccc5N(c5ccccc5)c5ccc(C(C)(C)C)cc54)ccc3)c3ccccc32)cc(C(C)(C)C)c1.

What is the InChIKey of [1-[3-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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 GJVFHUMYDLUPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H75N5O.Pt/c1-70(2,3)49-32-36-64-61(43-49)75(62-44-50(71(4,5)6)33-37-65(62)79(64)54-24-17-16-18-25-54)59-28-19-20-29-63(59)80(69-45-51(38-39-76-69)72(7,8)9)68-47-58(34-35-60(68)75)81-57-27-23-26-55(46-57)77-48-78(67-31-22-21-30-66(67)77)56-41-52(73(10,11)12)40-53(42-56)74(13,14)15;/h16-45H,1-15H3;/q-2;.

What are the key properties of [1-[3-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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 1257.54 g/mol, XLogP of 19.72, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[2',7'-ditert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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 168796894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).