platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

C35H25N3OPt — CID 164704087

About platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide

platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (PubChem CID 164704087) has the molecular formula C35H25N3OPt and a molecular weight of 698.68 g/mol. Its IUPAC name is platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

Molecular Properties

• Compound Name: platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
• PubChem CID: 164704087
• Molecular Formula: C35H25N3OPt
• Molecular Weight: 698.68 g/mol
• Exact Mass: 698.16
• IUPAC Name: platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide
• SMILES: Cc1cc(C)c(-c2cn3c4ccccc4c4ccc(Oc5[c-]c(-c6ccccn6)ccc5)[c-]c4c3n2)c(C)c1.[Pt+2]
• InChI: InChI=1S/C35H25N3O.Pt/c1-22-17-23(2)34(24(3)18-22)32-21-38-33-13-5-4-11-29(33)28-15-14-27(20-30(28)35(38)37-32)39-26-10-8-9-25(19-26)31-12-6-7-16-36-31;/h4-18,21H,1-3H3;/q-2;+2
• InChIKey: LIHNQDAIQBEFFW-UHFFFAOYSA-N
• XLogP: 8.69
• TPSA: 39.42 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.68
LogP ≤ 5	8.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The IUPAC name of platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide (CID 164704087) is platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide.

What is the SMILES notation for platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The canonical SMILES for platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is Cc1cc(C)c(-c2cn3c4ccccc4c4ccc(Oc5[c-]c(-c6ccccn6)ccc5)[c-]c4c3n2)c(C)c1.[Pt+2].

What is the InChIKey of platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

The InChIKey is LIHNQDAIQBEFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O.Pt/c1-22-17-23(2)34(24(3)18-22)32-21-38-33-13-5-4-11-29(33)28-15-14-27(20-30(28)35(38)37-32)39-26-10-8-9-25(19-26)31-12-6-7-16-36-31;/h4-18,21H,1-3H3;/q-2;+2.

What are the key properties of platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide?

platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide has a molecular weight of 698.68 g/mol, XLogP of 8.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for platinum(2+);11-(3-pyridin-2-ylbenzene-2-id-1-yl)oxy-2-(2,4,6-trimethylphenyl)-12H-imidazo[1,2-f]phenanthridin-12-ide is sourced from PubChem (CID 164704087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).