[1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C79H67N5OPt-2 — CID 168796780

About [1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796780) has the molecular formula C79H67N5OPt-2 and a molecular weight of 1297.52 g/mol. Its IUPAC name is [1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796780
• Molecular Formula: C79H67N5OPt-2
• Molecular Weight: 1297.52 g/mol
• Exact Mass: 1296.50
• IUPAC Name: [1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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(c4cc(C(C)(C)C)ccc4N3c3cc(C(C)(C)C)ccn3)c3ccccc3N(c3ccccc3)c3ccccc32)[c-]c(-n2c(=[Pt])n(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1
• InChI: InChI=1S/C79H67N5O.Pt/c1-76(2,3)55-40-43-70-67(48-55)79(64-34-19-21-36-68(64)83(58-30-17-12-18-31-58)69-37-22-20-35-65(69)79)66-42-41-60(51-73(66)84(70)74-49-56(44-45-80-74)77(4,5)6)85-61-47-57(78(7,8)9)46-59(50-61)81-52-82(72-39-24-23-38-71(72)81)75-62(53-26-13-10-14-27-53)32-25-33-63(75)54-28-15-11-16-29-54;/h10-49H,1-9H3;/q-2
• InChIKey: LTGCMUPHUGRZNU-UHFFFAOYSA-N
• XLogP: 20.46
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.52
LogP ≤ 5	20.46
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-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[4H-acridin-4-ide-9,9'-acridine]-3-yl]oxybenzene-6-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796780) is [1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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(c4cc(C(C)(C)C)ccc4N3c3cc(C(C)(C)C)ccn3)c3ccccc3N(c3ccccc3)c3ccccc32)[c-]c(-n2c(=[Pt])n(-c3c(-c4ccccc4)cccc3-c3ccccc3)c3ccccc32)c1.

What is the InChIKey of [1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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 LTGCMUPHUGRZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H67N5O.Pt/c1-76(2,3)55-40-43-70-67(48-55)79(64-34-19-21-36-68(64)83(58-30-17-12-18-31-58)69-37-22-20-35-65(69)79)66-42-41-60(51-73(66)84(70)74-49-56(44-45-80-74)77(4,5)6)85-61-47-57(78(7,8)9)46-59(50-61)81-52-82(72-39-24-23-38-71(72)81)75-62(53-26-13-10-14-27-53)32-25-33-63(75)54-28-15-11-16-29-54;/h10-49H,1-9H3;/q-2;.

What are the key properties of [1-[3-tert-butyl-5-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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 1297.52 g/mol, XLogP of 20.46, 8 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-[7-tert-butyl-10-(4-tert-butyl-2-pyridinyl)-10'-phenylspiro[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 168796780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).