6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C46H32N4OPt — CID 154611141

About 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 154611141) has the molecular formula C46H32N4OPt and a molecular weight of 851.87 g/mol. Its IUPAC name is 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 154611141
• Molecular Formula: C46H32N4OPt
• Molecular Weight: 851.87 g/mol
• Exact Mass: 851.22
• IUPAC Name: 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: Cc1cccc(C)c1-c1ccc2c(c1)c1ccc(Oc3[c-]c4c(cc3)c3ccc(-c5c(C)cccc5C)cc3n3ccnc43)[c-]c1c1nccn21.[Pt+2]
• InChI: InChI=1S/C46H32N4O.Pt/c1-27-7-5-8-28(2)43(27)31-12-18-41-38(23-31)36-17-14-34(26-40(36)45-47-19-21-49(41)45)51-33-13-16-35-37-15-11-32(44-29(3)9-6-10-30(44)4)24-42(37)50-22-20-48-46(50)39(35)25-33;/h5-24H,1-4H3;/q-2;+2
• InChIKey: DWRIXSHPMBOTHT-UHFFFAOYSA-N
• XLogP: 11.55
• TPSA: 43.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	851.87
LogP ≤ 5	11.55
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 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The IUPAC name of 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 154611141) is 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

What is the SMILES notation for 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The canonical SMILES for 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is Cc1cccc(C)c1-c1ccc2c(c1)c1ccc(Oc3[c-]c4c(cc3)c3ccc(-c5c(C)cccc5C)cc3n3ccnc43)[c-]c1c1nccn21.[Pt+2].

What is the InChIKey of 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is DWRIXSHPMBOTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4O.Pt/c1-27-7-5-8-28(2)43(27)31-12-18-41-38(23-31)36-17-14-34(26-40(36)45-47-19-21-49(41)45)51-33-13-16-35-37-15-11-32(44-29(3)9-6-10-30(44)4)24-42(37)50-22-20-48-46(50)39(35)25-33;/h5-24H,1-4H3;/q-2;+2.

What are the key properties of 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 851.87 g/mol, XLogP of 11.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,6-dimethylphenyl)-11-[[7-(2,6-dimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 154611141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).