6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C34H24N4OPt — CID 154611149

About 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 154611149) has the molecular formula C34H24N4OPt and a molecular weight of 699.67 g/mol. Its IUPAC name is 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

• Compound Name: 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 154611149
• Molecular Formula: C34H24N4OPt
• Molecular Weight: 699.67 g/mol
• Exact Mass: 699.16
• IUPAC Name: 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: CC(C)(C)c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n4ccnc54)[c-]c3c3nccn3c2c1.[Pt+2]
• InChI: InChI=1S/C34H24N4O.Pt/c1-34(2,3)21-8-11-27-25-13-10-23(20-29(25)33-36-15-17-38(33)31(27)18-21)39-22-9-12-24-26-6-4-5-7-30(26)37-16-14-35-32(37)28(24)19-22;/h4-18H,1-3H3;/q-2;+2
• InChIKey: UDFXXTOWYVVLDS-UHFFFAOYSA-N
• XLogP: 8.28
• TPSA: 43.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	699.67
LogP ≤ 5	8.28
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-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The IUPAC name of 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 154611149) is 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

What is the SMILES notation for 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The canonical SMILES for 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is CC(C)(C)c1ccc2c3ccc(Oc4[c-]c5c(cc4)c4ccccc4n4ccnc54)[c-]c3c3nccn3c2c1.[Pt+2].

What is the InChIKey of 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is UDFXXTOWYVVLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N4O.Pt/c1-34(2,3)21-8-11-27-25-13-10-23(20-29(25)33-36-15-17-38(33)31(27)18-21)39-22-9-12-24-26-6-4-5-7-30(26)37-16-14-35-32(37)28(24)19-22;/h4-18H,1-3H3;/q-2;+2.

What are the key properties of 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 699.67 g/mol, XLogP of 8.28, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 154611149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).