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

C42H24N4OPt — CID 154611246

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

6-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 154611246) has the molecular formula C42H24N4OPt and a molecular weight of 795.76 g/mol. Its IUPAC name is 6-phenyl-11-[(7-phenyl-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-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 154611246
• Molecular Formula: C42H24N4OPt
• Molecular Weight: 795.76 g/mol
• Exact Mass: 795.16
• IUPAC Name: 6-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(-c4ccccc4)cc2n2ccnc32)ccc2c1c1nccn1c1ccc(-c3ccccc3)cc21
• InChI: InChI=1S/C42H24N4O.Pt/c1-3-7-27(8-4-1)29-12-18-39-36(23-29)34-17-14-32(26-38(34)41-43-19-21-45(39)41)47-31-13-16-33-35-15-11-30(28-9-5-2-6-10-28)24-40(35)46-22-20-44-42(46)37(33)25-31;/h1-24H;/q-2;+2
• InChIKey: NAMVMPJEEBJQTG-UHFFFAOYSA-N
• XLogP: 10.32
• TPSA: 43.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	795.76
LogP ≤ 5	10.32
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-phenyl-11-[(7-phenyl-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-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 154611246) is 6-phenyl-11-[(7-phenyl-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-phenyl-11-[(7-phenyl-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-phenyl-11-[(7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2ccc(-c4ccccc4)cc2n2ccnc32)ccc2c1c1nccn1c1ccc(-c3ccccc3)cc21.

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

The InChIKey is NAMVMPJEEBJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H24N4O.Pt/c1-3-7-27(8-4-1)29-12-18-39-36(23-29)34-17-14-32(26-38(34)41-43-19-21-45(39)41)47-31-13-16-33-35-15-11-30(28-9-5-2-6-10-28)24-40(35)46-22-20-44-42(46)37(33)25-31;/h1-24H;/q-2;+2.

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

6-phenyl-11-[(7-phenyl-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 795.76 g/mol, XLogP of 10.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-phenyl-11-[(7-phenyl-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 154611246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).