[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum

C83H75N5OPt-2 — CID 168796710

About [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum (PubChem CID 168796710) has the molecular formula C83H75N5OPt-2 and a molecular weight of 1353.62 g/mol. Its IUPAC name is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum
• PubChem CID: 168796710
• Molecular Formula: C83H75N5OPt-2
• Molecular Weight: 1353.62 g/mol
• Exact Mass: 1352.56
• IUPAC Name: [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3C3(c4ccccc42)c2cc(C(C)(C)C)ccc2N(c2ccccc2)c2ccc(C(C)(C)C)cc23)c1
• InChI: InChI=1S/C83H75N5O.Pt/c1-79(2,3)57-39-43-72-69(49-57)83(70-50-58(80(4,5)6)40-44-73(70)87(72)61-31-20-15-21-32-61)67-35-22-23-36-71(67)88(77-51-59(45-46-84-77)81(7,8)9)76-53-64(41-42-68(76)83)89-63-34-26-33-62(52-63)85-54-86(75-38-25-24-37-74(75)85)78-65(55-27-16-13-17-28-55)47-60(82(10,11)12)48-66(78)56-29-18-14-19-30-56;/h13-51H,1-12H3;/q-2
• InChIKey: MUKFCMPBYQFKAL-UHFFFAOYSA-N
• XLogP: 21.76
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1353.62
LogP ≤ 5	21.76
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-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum (CID 168796710) is [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cc(C(C)(C)C)cc6-c6ccccc6)c6ccccc65)ccc4)ccc3C3(c4ccccc42)c2cc(C(C)(C)C)ccc2N(c2ccccc2)c2ccc(C(C)(C)C)cc23)c1.

What is the InChIKey of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum?

The InChIKey is MUKFCMPBYQFKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H75N5O.Pt/c1-79(2,3)57-39-43-72-69(49-57)83(70-50-58(80(4,5)6)40-44-73(70)87(72)61-31-20-15-21-32-61)67-35-22-23-36-71(67)88(77-51-59(45-46-84-77)81(7,8)9)76-53-64(41-42-68(76)83)89-63-34-26-33-62(52-63)85-54-86(75-38-25-24-37-74(75)85)78-65(55-27-16-13-17-28-55)47-60(82(10,11)12)48-66(78)56-29-18-14-19-30-56;/h13-51H,1-12H3;/q-2;.

What are the key properties of [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum?

[1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum has a molecular weight of 1353.62 g/mol, XLogP of 21.76, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-tert-butyl-2,6-diphenylphenyl)-3-[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]benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).