5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum

C60H36N6OPt-2 — CID 162460904

About 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum

5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum (PubChem CID 162460904) has the molecular formula C60H36N6OPt-2 and a molecular weight of 1052.07 g/mol. Its IUPAC name is 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum.

Molecular Properties

• Compound Name: 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum
• PubChem CID: 162460904
• Molecular Formula: C60H36N6OPt-2
• Molecular Weight: 1052.07 g/mol
• Exact Mass: 1051.26
• IUPAC Name: 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3c(cn2)c2ccccc2n3-c2ccccc2)cccc1-n1[c-][n+](-c2cccc3c4ccccc4n(-c4ccccc4)c23)c2ccccc21
• InChI: InChI=1S/C60H36N6O.Pt/c1-3-17-40(18-4-1)64-51-27-10-9-25-47(51)50-38-61-59(37-58(50)64)66-53-29-12-7-23-45(53)48-34-33-44(36-57(48)66)67-43-22-15-21-42(35-43)62-39-63(55-31-14-13-30-54(55)62)56-32-16-26-49-46-24-8-11-28-52(46)65(60(49)56)41-19-5-2-6-20-41;/h1-34,37-38H;/q-2
• InChIKey: FSXIAXIQJSZGDI-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 45.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1052.07
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum?

The IUPAC name of 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum (CID 162460904) is 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum.

What is the SMILES notation for 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum?

The canonical SMILES for 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3c(cn2)c2ccccc2n3-c2ccccc2)cccc1-n1[c-][n+](-c2cccc3c4ccccc4n(-c4ccccc4)c23)c2ccccc21.

What is the InChIKey of 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum?

The InChIKey is FSXIAXIQJSZGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N6O.Pt/c1-3-17-40(18-4-1)64-51-27-10-9-25-47(51)50-38-61-59(37-58(50)64)66-53-29-12-7-23-45(53)48-34-33-44(36-57(48)66)67-43-22-15-21-42(35-43)62-39-63(55-31-14-13-30-54(55)62)56-32-16-26-49-46-24-8-11-28-52(46)65(60(49)56)41-19-5-2-6-20-41;/h1-34,37-38H;/q-2;.

What are the key properties of 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum?

5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum has a molecular weight of 1052.07 g/mol, XLogP of 13.78, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[4,3-b]indole;platinum is sourced from PubChem (CID 162460904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).