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

C36H20N4OPt — CID 154611497

IUPAC11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n2ccnc32)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C36H20N4O.Pt/c1-2-6-23(7-3-1)24-10-15-34-30(20-24)28-14-12-26(22-32(28)36-38-17-19-40(34)36)41-25-11-13-27-29-8-4-5-9-33(29)39-18-16-37-35(39)31(27)21-25;/h1-20H;/q-2;+2
InChIKeyRAKDZKOULPXTFO-UHFFFAOYSA-N
MW719.66 g/mol
LogP8.65
Rot. Bonds3

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

11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 154611497) has the molecular formula C36H20N4OPt and a molecular weight of 719.66 g/mol. Its IUPAC name is 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

Compound Name11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
PubChem CID154611497
Molecular FormulaC36H20N4OPt
Molecular Weight719.66 g/mol
Exact Mass719.13
IUPAC Name11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
SMILES[Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n2ccnc32)ccc2c1c1nccn1c1ccccc21
InChIInChI=1S/C36H20N4O.Pt/c1-2-6-23(7-3-1)24-10-15-34-30(20-24)28-14-12-26(22-32(28)36-38-17-19-40(34)36)41-25-11-13-27-29-8-4-5-9-33(29)39-18-16-37-35(39)31(27)21-25;/h1-20H;/q-2;+2
InChIKeyRAKDZKOULPXTFO-UHFFFAOYSA-N
XLogP8.65
TPSA43.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms42
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.66
LogP ≤ 58.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The IUPAC name of 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 154611497) is 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+).
What is the SMILES notation for 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The canonical SMILES for 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is [Pt+2].[c-]1c(Oc2[c-]c3c(cc2)c2cc(-c4ccccc4)ccc2n2ccnc32)ccc2c1c1nccn1c1ccccc21.
What is the InChIKey of 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
The InChIKey is RAKDZKOULPXTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H20N4O.Pt/c1-2-6-23(7-3-1)24-10-15-34-30(20-24)28-14-12-26(22-32(28)36-38-17-19-40(34)36)41-25-11-13-27-29-8-4-5-9-33(29)39-18-16-37-35(39)31(27)21-25;/h1-20H;/q-2;+2.
What are the key properties of 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?
11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 719.66 g/mol, XLogP of 8.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(12H-imidazo[1,2-f]phenanthridin-12-id-11-yloxy)-7-phenyl-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 154611497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).