10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+)

C42H27FN4OPt — CID 162461498

About 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+)

10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+) (PubChem CID 162461498) has the molecular formula C42H27FN4OPt and a molecular weight of 817.78 g/mol. Its IUPAC name is 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+).

Molecular Properties

• Compound Name: 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+)
• PubChem CID: 162461498
• Molecular Formula: C42H27FN4OPt
• Molecular Weight: 817.78 g/mol
• Exact Mass: 817.18
• IUPAC Name: 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+)
• SMILES: CC1(C)c2ccc(C(F)c3[c-]c4c(cc3)c3ccccc3n3ccnc43)[c-]c2N(c2ccccn2)c2ccc3oc4ccccc4c3c21.[Pt+2]
• InChI: InChI=1S/C42H27FN4O.Pt/c1-42(2)31-17-15-26(40(43)25-14-16-27-28-9-3-5-11-32(28)46-22-21-45-41(46)30(27)23-25)24-34(31)47(37-13-7-8-20-44-37)33-18-19-36-38(39(33)42)29-10-4-6-12-35(29)48-36;/h3-22,40H,1-2H3;/q-2;+2
• InChIKey: MDRSHXHZUOIOJE-UHFFFAOYSA-N
• XLogP: 10.70
• TPSA: 46.57 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	817.78
LogP ≤ 5	10.70
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 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+)?

The IUPAC name of 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+) (CID 162461498) is 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+).

What is the SMILES notation for 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+)?

The canonical SMILES for 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+) is CC1(C)c2ccc(C(F)c3[c-]c4c(cc3)c3ccccc3n3ccnc43)[c-]c2N(c2ccccn2)c2ccc3oc4ccccc4c3c21.[Pt+2].

What is the InChIKey of 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+)?

The InChIKey is MDRSHXHZUOIOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H27FN4O.Pt/c1-42(2)31-17-15-26(40(43)25-14-16-27-28-9-3-5-11-32(28)46-22-21-45-41(46)30(27)23-25)24-34(31)47(37-13-7-8-20-44-37)33-18-19-36-38(39(33)42)29-10-4-6-12-35(29)48-36;/h3-22,40H,1-2H3;/q-2;+2.

What are the key properties of 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+)?

10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+) has a molecular weight of 817.78 g/mol, XLogP of 10.70, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-13,13-dimethyl-8-pyridin-2-yl-9H-[1]benzofuro[3,2-a]acridin-9-ide;platinum(2+) is sourced from PubChem (CID 162461498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).