8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C40H26N4OPt — CID 154610895

About 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 154610895) has the molecular formula C40H26N4OPt and a molecular weight of 773.75 g/mol. Its IUPAC name is 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

• Compound Name: 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 154610895
• Molecular Formula: C40H26N4OPt
• Molecular Weight: 773.75 g/mol
• Exact Mass: 773.18
• IUPAC Name: 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: Cc1cccc(C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1nccn21.[Pt+2]
• InChI: InChI=1S/C40H26N4O.Pt/c1-25-9-7-10-26(2)38(25)32-12-8-14-35-39(32)31-19-17-27(23-33(31)40-42-21-22-43(35)40)45-28-16-18-30-29-11-3-4-13-34(29)44(36(30)24-28)37-15-5-6-20-41-37;/h3-22H,1-2H3;/q-2;+2
• InChIKey: MFXPMVMMDAZZPZ-UHFFFAOYSA-N
• XLogP: 9.81
• TPSA: 44.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.75
LogP ≤ 5	9.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The IUPAC name of 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 154610895) is 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

What is the SMILES notation for 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The canonical SMILES for 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is Cc1cccc(C)c1-c1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1nccn21.[Pt+2].

What is the InChIKey of 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is MFXPMVMMDAZZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H26N4O.Pt/c1-25-9-7-10-26(2)38(25)32-12-8-14-35-39(32)31-19-17-27(23-33(31)40-42-21-22-43(35)40)45-28-16-18-30-29-11-3-4-13-34(29)44(36(30)24-28)37-15-5-6-20-41-37;/h3-22H,1-2H3;/q-2;+2.

What are the key properties of 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 773.75 g/mol, XLogP of 9.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(2,6-dimethylphenyl)-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 154610895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).