3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum

C47H35N4O2Pt-3 — CID 162476200

About 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum

3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum (PubChem CID 162476200) has the molecular formula C47H35N4O2Pt-3 and a molecular weight of 882.90 g/mol. Its IUPAC name is 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum.

Molecular Properties

• Compound Name: 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
• PubChem CID: 162476200
• Molecular Formula: C47H35N4O2Pt-3
• Molecular Weight: 882.90 g/mol
• Exact Mass: 882.24
• IUPAC Name: 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4oc5ccccc5c4cn3)cc(C(C)(C)C)c2)c2cc(-c3ccccc3)ccc21.[Pt]
• InChI: InChI=1S/C47H35N4O2.Pt/c1-47(2,3)32-23-33(50-29-49(4)41-21-18-31(22-43(41)50)30-12-6-5-7-13-30)25-35(24-32)52-34-19-20-37-36-14-8-10-16-40(36)51(42(37)26-34)46-27-45-39(28-48-46)38-15-9-11-17-44(38)53-45;/h5-24,27-29H,1-4H3;/q-3
• InChIKey: KBRRQGJLHJJFGO-UHFFFAOYSA-N
• XLogP: 12.14
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.90
LogP ≤ 5	12.14
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 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The IUPAC name of 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum (CID 162476200) is 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum.

What is the SMILES notation for 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The canonical SMILES for 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4oc5ccccc5c4cn3)cc(C(C)(C)C)c2)c2cc(-c3ccccc3)ccc21.[Pt].

What is the InChIKey of 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The InChIKey is KBRRQGJLHJJFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H35N4O2.Pt/c1-47(2,3)32-23-33(50-29-49(4)41-21-18-31(22-43(41)50)30-12-6-5-7-13-30)25-35(24-32)52-34-19-20-37-36-14-8-10-16-40(36)51(42(37)26-34)46-27-45-39(28-48-46)38-15-9-11-17-44(38)53-45;/h5-24,27-29H,1-4H3;/q-3;.

What are the key properties of 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum has a molecular weight of 882.90 g/mol, XLogP of 12.14, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-tert-butyl-5-(3-methyl-6-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum is sourced from PubChem (CID 162476200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).