[1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

C63H44N6OPt-2 — CID 168796768

About [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum

[1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (PubChem CID 168796768) has the molecular formula C63H44N6OPt-2 and a molecular weight of 1096.16 g/mol. Its IUPAC name is [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• PubChem CID: 168796768
• Molecular Formula: C63H44N6OPt-2
• Molecular Weight: 1096.16 g/mol
• Exact Mass: 1095.32
• IUPAC Name: [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum
• SMILES: CC(C)(C)c1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3C3(c4cnccc4-c4ccncc43)c3ccccc32)c1
• InChI: InChI=1S/C63H44N6O.Pt/c1-62(2,3)44-30-35-66-60(36-44)69-56-25-11-10-24-52(56)63(54-39-64-33-31-50(54)51-32-34-65-40-55(51)63)53-29-28-47(38-59(53)69)70-46-21-14-20-45(37-46)67-41-68(58-27-13-12-26-57(58)67)61-48(42-16-6-4-7-17-42)22-15-23-49(61)43-18-8-5-9-19-43;/h4-36,39-40H,1-3H3;/q-2
• InChIKey: HCFIMYFLKGHHDJ-UHFFFAOYSA-N
• XLogP: 14.86
• TPSA: 61.00 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.16
LogP ≤ 5	14.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum (CID 168796768) is [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is CC(C)(C)c1ccnc(N2c3[c-]c(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)cccc6-c6ccccc6)c6ccccc65)ccc4)ccc3C3(c4cnccc4-c4ccncc43)c3ccccc32)c1.

What is the InChIKey of [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

The InChIKey is HCFIMYFLKGHHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N6O.Pt/c1-62(2,3)44-30-35-66-60(36-44)69-56-25-11-10-24-52(56)63(54-39-64-33-31-50(54)51-32-34-65-40-55(51)63)53-29-28-47(38-59(53)69)70-46-21-14-20-45(37-46)67-41-68(58-27-13-12-26-57(58)67)61-48(42-16-6-4-7-17-42)22-15-23-49(61)43-18-8-5-9-19-43;/h4-36,39-40H,1-3H3;/q-2;.

What are the key properties of [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum?

[1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum has a molecular weight of 1096.16 g/mol, XLogP of 14.86, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[10-(4-tert-butyl-2-pyridinyl)spiro[4H-acridin-4-ide-9,8'-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene]-3-yl]oxybenzene-2-id-1-yl]-3-(2,6-diphenylphenyl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 168796768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).