2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum

C47H46N5OPt-3 — CID 168761373

About 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum

2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum (PubChem CID 168761373) has the molecular formula C47H46N5OPt-3 and a molecular weight of 892.00 g/mol. Its IUPAC name is 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum.

Molecular Properties

• Compound Name: 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum
• PubChem CID: 168761373
• Molecular Formula: C47H46N5OPt-3
• Molecular Weight: 892.00 g/mol
• Exact Mass: 891.34
• IUPAC Name: 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum
• SMILES: CN(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(Cc6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C47H46N5O.Pt/c1-46(2,3)33-24-32(25-34(26-33)47(4,5)6)30-50-31-51(43-19-12-11-18-42(43)50)36-14-13-15-37(27-36)53-38-20-21-40-39-16-9-10-17-41(39)52(44(40)29-38)45-28-35(49(7)8)22-23-48-45;/h9-26,28,31H,30H2,1-8H3;/q-3
• InChIKey: HIXSFACMOQICIP-UHFFFAOYSA-N
• XLogP: 11.51
• TPSA: 36.77 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	892.00
LogP ≤ 5	11.51
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 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum?

The IUPAC name of 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum (CID 168761373) is 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum.

What is the SMILES notation for 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum?

The canonical SMILES for 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum is CN(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(Cc6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccccc65)ccc4)ccc3c3ccccc32)c1.[Pt].

What is the InChIKey of 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum?

The InChIKey is HIXSFACMOQICIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H46N5O.Pt/c1-46(2,3)33-24-32(25-34(26-33)47(4,5)6)30-50-31-51(43-19-12-11-18-42(43)50)36-14-13-15-37(27-36)53-38-20-21-40-39-16-9-10-17-41(39)52(44(40)29-38)45-28-35(49(7)8)22-23-48-45;/h9-26,28,31H,30H2,1-8H3;/q-3;.

What are the key properties of 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum?

2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum has a molecular weight of 892.00 g/mol, XLogP of 11.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[3-[3-[(3,5-ditert-butylphenyl)methyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-N,N-dimethylpyridin-4-amine;platinum is sourced from PubChem (CID 168761373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).