9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum

C53H49N4OPt-3 — CID 168751487

About 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum

9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum (PubChem CID 168751487) has the molecular formula C53H49N4OPt-3 and a molecular weight of 953.08 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum
• PubChem CID: 168751487
• Molecular Formula: C53H49N4OPt-3
• Molecular Weight: 953.08 g/mol
• Exact Mass: 952.36
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(-c2ccccc2)c1CCCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C53H49N4O.Pt/c1-37(2)43-21-14-22-44(39-17-7-6-8-18-39)45(43)23-15-31-55-36-56(50-26-12-11-25-49(50)55)41-19-13-16-38(32-41)35-58-42-27-28-47-46-20-9-10-24-48(46)57(51(47)34-42)52-33-40(29-30-54-52)53(3,4)5;/h6-14,16-22,24-30,33,36-37H,15,23,31,35H2,1-5H3;/q-3
• InChIKey: YBJRXMTYXHBWEH-UHFFFAOYSA-N
• XLogP: 13.15
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	953.08
LogP ≤ 5	13.15
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 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum (CID 168751487) is 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum is CC(C)c1cccc(-c2ccccc2)c1CCCN1[CH-]N(c2[c-]c(COc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)C)ccn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum?

The InChIKey is YBJRXMTYXHBWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H49N4O.Pt/c1-37(2)43-21-14-22-44(39-17-7-6-8-18-39)45(43)23-15-31-55-36-56(50-26-12-11-25-49(50)55)41-19-13-16-38(32-41)35-58-42-27-28-47-46-20-9-10-24-48(46)57(51(47)34-42)52-33-40(29-30-54-52)53(3,4)5;/h6-14,16-22,24-30,33,36-37H,15,23,31,35H2,1-5H3;/q-3;.

What are the key properties of 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum?

9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum has a molecular weight of 953.08 g/mol, XLogP of 13.15, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[[3-[3-[3-(2-phenyl-6-propan-2-ylphenyl)propyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]methoxy]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168751487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).