[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum

C63H48N4OPt-2 — CID 171056669

About [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum

[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum (PubChem CID 171056669) has the molecular formula C63H48N4OPt-2 and a molecular weight of 1077.21 g/mol. Its IUPAC name is [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum.

Molecular Properties

• Compound Name: [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum
• PubChem CID: 171056669
• Molecular Formula: C63H48N4OPt-2
• Molecular Weight: 1077.21 g/mol
• Exact Mass: 1076.38
• IUPAC Name: [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)ccc7c6C6(CCc8ccccc86)CC7)c6ccccc65)ccc4)[c-]c2n3-c2cc(C(C)(C)C)ccn2)c([2H])c1[2H]
• InChI: InChI=1S/C63H48N4O.Pt/c1-62(2,3)47-33-36-64-59(38-47)67-55-30-26-46(42-15-6-4-7-16-42)37-53(55)52-29-27-50(40-58(52)67)68-49-21-14-20-48(39-49)65-41-66(57-24-13-12-23-56(57)65)61-51(43-17-8-5-9-18-43)28-25-45-32-35-63(60(45)61)34-31-44-19-10-11-22-54(44)63;/h4-30,33,36-38H,31-32,34-35H2,1-3H3;/q-2;/i4D,6D,7D,15D,16D
• InChIKey: RSTHFULZHFNARS-UWPFRJGSSA-N
• XLogP: 15.19
• TPSA: 36.91 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.21
LogP ≤ 5	15.19
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum?

The IUPAC name of [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum (CID 171056669) is [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum.

What is the SMILES notation for [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum?

The canonical SMILES for [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)c2ccc(Oc4[c-]c(-n5c(=[Pt])n(-c6c(-c7ccccc7)ccc7c6C6(CCc8ccccc86)CC7)c6ccccc65)ccc4)[c-]c2n3-c2cc(C(C)(C)C)ccn2)c([2H])c1[2H].

What is the InChIKey of [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum?

The InChIKey is RSTHFULZHFNARS-UWPFRJGSSA-N. The full InChI is InChI=1S/C63H48N4O.Pt/c1-62(2,3)47-33-36-64-59(38-47)67-55-30-26-46(42-15-6-4-7-16-42)37-53(55)52-29-27-50(40-58(52)67)68-49-21-14-20-48(39-49)65-41-66(57-24-13-12-23-56(57)65)61-51(43-17-8-5-9-18-43)28-25-45-32-35-63(60(45)61)34-31-44-19-10-11-22-54(44)63;/h4-30,33,36-38H,31-32,34-35H2,1-3H3;/q-2;/i4D,6D,7D,15D,16D;.

What are the key properties of [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum?

[1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum has a molecular weight of 1077.21 g/mol, XLogP of 15.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[3-[[9-(4-tert-butyl-2-pyridinyl)-6-(2,3,4,5,6-pentadeuteriophenyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-3-(5-phenyl-3,3'-spirobi[1,2-dihydroindene]-4-yl)benzimidazol-2-ylidene]platinum is sourced from PubChem (CID 171056669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).