[1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C82H65N5OPt-2 — CID 168796806

About [1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796806) has the molecular formula C82H65N5OPt-2 and a molecular weight of 1336.56 g/mol. Its IUPAC name is [1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796806
• Molecular Formula: C82H65N5OPt-2
• Molecular Weight: 1336.56 g/mol
• Exact Mass: 1335.52
• IUPAC Name: [1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cnc(N3c4[c-]c(Oc5[c-]c(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)ccc5)ccc4C4(c5ccccc53)c3ccccc3N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc34)cc2C)c([2H])c1[2H]
• InChI: InChI=1S/C82H65N5O.Pt/c1-55-47-78(83-53-67(55)58-31-15-10-16-32-58)87-74-42-22-19-39-70(74)82(68-37-17-20-40-72(68)86(73-41-21-18-38-69(73)82)62-49-59(80(2,3)4)48-60(50-62)81(5,6)7)71-46-45-64(52-77(71)87)88-63-34-25-33-61(51-63)84-54-85(76-44-24-23-43-75(76)84)79-65(56-27-11-8-12-28-56)35-26-36-66(79)57-29-13-9-14-30-57;/h8-50,53H,1-7H3;/q-2;/i10D,15D,16D,31D,32D
• InChIKey: RHFOZPDGMBMMDR-TUOYQQSRSA-N
• XLogP: 21.14
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1336.56
LogP ≤ 5	21.14
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'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796806) is [1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

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

The canonical SMILES for [1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2cnc(N3c4[c-]c(Oc5[c-]c(-n6c(=[Pt])n(-c7c(-c8ccccc8)cccc7-c7ccccc7)c7ccccc76)ccc5)ccc4C4(c5ccccc53)c3ccccc3N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3ccccc34)cc2C)c([2H])c1[2H].

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

The InChIKey is RHFOZPDGMBMMDR-TUOYQQSRSA-N. The full InChI is InChI=1S/C82H65N5O.Pt/c1-55-47-78(83-53-67(55)58-31-15-10-16-32-58)87-74-42-22-19-39-70(74)82(68-37-17-20-40-72(68)86(73-41-21-18-38-69(73)82)62-49-59(80(2,3)4)48-60(50-62)81(5,6)7)71-46-45-64(52-77(71)87)88-63-34-25-33-61(51-63)84-54-85(76-44-24-23-43-75(76)84)79-65(56-27-11-8-12-28-56)35-26-36-66(79)57-29-13-9-14-30-57;/h8-50,53H,1-7H3;/q-2;/i10D,15D,16D,31D,32D;.

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

[1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1336.56 g/mol, XLogP of 21.14, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[10'-(3,5-ditert-butylphenyl)-10-[4-methyl-5-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridinyl]spiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).