9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)

C58H36F3N5OPt — CID 176643045

About 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)

9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+) (PubChem CID 176643045) has the molecular formula C58H36F3N5OPt and a molecular weight of 1071.03 g/mol. Its IUPAC name is 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+).

Molecular Properties

• Compound Name: 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)
• PubChem CID: 176643045
• Molecular Formula: C58H36F3N5OPt
• Molecular Weight: 1071.03 g/mol
• Exact Mass: 1070.25
• IUPAC Name: 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)
• SMILES: CC(C)(c1ccccc1)c1ccc(-c2[c-]c(-n3c4ccccc4c4cccnc43)c3oc4ccccc4c3c2)c2nc(-c3cccc4c3[n-]c3cccc(C(F)(F)F)c34)n(-c3ccccc3)c12.[Pt+2]
• InChI: InChI=1S/C58H36F3N5O.Pt/c1-57(2,35-16-5-3-6-17-35)45-30-29-37(34-32-43-39-21-10-12-28-49(39)67-54(43)48(33-34)66-47-27-11-9-20-38(47)40-24-15-31-62-55(40)66)52-53(45)65(36-18-7-4-8-19-36)56(64-52)42-23-13-22-41-50-44(58(59,60)61)25-14-26-46(50)63-51(41)42;/h3-32H,1-2H3;/q-2;+2
• InChIKey: IXYQXRLVCAJQPJ-UHFFFAOYSA-N
• XLogP: 15.16
• TPSA: 62.88 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1071.03
LogP ≤ 5	15.16
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-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)?

The IUPAC name of 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+) (CID 176643045) is 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+).

What is the SMILES notation for 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)?

The canonical SMILES for 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+) is CC(C)(c1ccccc1)c1ccc(-c2[c-]c(-n3c4ccccc4c4cccnc43)c3oc4ccccc4c3c2)c2nc(-c3cccc4c3[n-]c3cccc(C(F)(F)F)c34)n(-c3ccccc3)c12.[Pt+2].

What is the InChIKey of 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)?

The InChIKey is IXYQXRLVCAJQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H36F3N5O.Pt/c1-57(2,35-16-5-3-6-17-35)45-30-29-37(34-32-43-39-21-10-12-28-49(39)67-54(43)48(33-34)66-47-27-11-9-20-38(47)40-24-15-31-62-55(40)66)52-53(45)65(36-18-7-4-8-19-36)56(64-52)42-23-13-22-41-50-44(58(59,60)61)25-14-26-46(50)63-51(41)42;/h3-32H,1-2H3;/q-2;+2.

What are the key properties of 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+)?

9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+) has a molecular weight of 1071.03 g/mol, XLogP of 15.16, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-[1-phenyl-7-(2-phenylpropan-2-yl)-2-[5-(trifluoromethyl)carbazol-9-id-1-yl]benzimidazol-4-yl]-3H-dibenzofuran-3-id-4-yl]pyrido[2,3-b]indole;platinum(2+) is sourced from PubChem (CID 176643045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).