3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum

C48H38N5OPt-3 — CID 162476114

About 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum

3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum (PubChem CID 162476114) has the molecular formula C48H38N5OPt-3 and a molecular weight of 895.94 g/mol. Its IUPAC name is 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum.

Molecular Properties

• Compound Name: 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum
• PubChem CID: 162476114
• Molecular Formula: C48H38N5OPt-3
• Molecular Weight: 895.94 g/mol
• Exact Mass: 895.27
• IUPAC Name: 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4c(cn3)c3ccccc3n4C)cc(C(C)(C)C)c2)c2ccc(-c3ccccc3)cc21.[Pt]
• InChI: InChI=1S/C48H38N5O.Pt/c1-48(2,3)33-24-34(52-30-50(4)46-23-32(19-22-43(46)52)31-13-7-6-8-14-31)26-36(25-33)54-35-20-21-39-37-15-10-12-18-42(37)53(45(39)27-35)47-28-44-40(29-49-47)38-16-9-11-17-41(38)51(44)5;/h6-25,28-30H,1-5H3;/q-3
• InChIKey: MPMYQNWPDDVKRN-UHFFFAOYSA-N
• XLogP: 11.89
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.94
LogP ≤ 5	11.89
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-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum?

The IUPAC name of 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum (CID 162476114) is 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum.

What is the SMILES notation for 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum?

The canonical SMILES for 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4c(cn3)c3ccccc3n4C)cc(C(C)(C)C)c2)c2ccc(-c3ccccc3)cc21.[Pt].

What is the InChIKey of 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum?

The InChIKey is MPMYQNWPDDVKRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H38N5O.Pt/c1-48(2,3)33-24-34(52-30-50(4)46-23-32(19-22-43(46)52)31-13-7-6-8-14-31)26-36(25-33)54-35-20-21-39-37-15-10-12-18-42(37)53(45(39)27-35)47-28-44-40(29-49-47)38-16-9-11-17-41(38)51(44)5;/h6-25,28-30H,1-5H3;/q-3;.

What are the key properties of 3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum?

3-[2-[3-tert-butyl-5-(3-methyl-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum has a molecular weight of 895.94 g/mol, XLogP of 11.89, 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-5-phenyl-2H-benzimidazol-2-id-1-yl)benzene-6-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-5-methylpyrido[4,3-b]indole;platinum is sourced from PubChem (CID 162476114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).