[1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C87H67N5OPt-2 — CID 168796792

About [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796792) has the molecular formula C87H67N5OPt-2 and a molecular weight of 1393.61 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796792
• Molecular Formula: C87H67N5OPt-2
• Molecular Weight: 1393.61 g/mol
• Exact Mass: 1392.50
• IUPAC Name: [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)C2(c4ccccc4N3c3cc(C(C)(C)C)ccn3)c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3cc(-c4ccccc4)ccc32)[c-]c(-n2c(=[Pt])n(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1
• InChI: InChI=1S/C87H67N5O.Pt/c1-85(2,3)65-49-50-88-83(55-65)92-77-40-23-22-39-73(77)87(74-46-43-63(59-27-12-7-13-28-59)51-80(74)91(67-35-20-11-21-36-67)81-52-64(44-47-75(81)87)60-29-14-8-15-30-60)76-48-45-69(57-82(76)92)93-70-54-66(86(4,5)6)53-68(56-70)89-58-90(79-42-25-24-41-78(79)89)84-71(61-31-16-9-17-32-61)37-26-38-72(84)62-33-18-10-19-34-62;/h7-55H,1-6H3;/q-2
• InChIKey: HFIHGCGUFJQOAJ-UHFFFAOYSA-N
• XLogP: 22.50
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1393.61
LogP ≤ 5	22.50
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-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796792) is [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)C2(c4ccccc4N3c3cc(C(C)(C)C)ccn3)c3ccc(-c4ccccc4)cc3N(c3ccccc3)c3cc(-c4ccccc4)ccc32)[c-]c(-n2c(=[Pt])n(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.

What is the InChIKey of [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is HFIHGCGUFJQOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H67N5O.Pt/c1-85(2,3)65-49-50-88-83(55-65)92-77-40-23-22-39-73(77)87(74-46-43-63(59-27-12-7-13-28-59)51-80(74)91(67-35-20-11-21-36-67)81-52-64(44-47-75(81)87)60-29-14-8-15-30-60)76-48-45-69(57-82(76)92)93-70-54-66(86(4,5)6)53-68(56-70)89-58-90(79-42-25-24-41-78(79)89)84-71(61-31-16-9-17-32-61)37-26-38-72(84)62-33-18-10-19-34-62;/h7-55H,1-6H3;/q-2;.

What are the key properties of [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1393.61 g/mol, XLogP of 22.50, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-tert-butyl-5-[10-(4-tert-butyl-2-pyridinyl)-3',6',10'-triphenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).