3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)

C39H21FN4OPt — CID 162461468

About 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)

3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+) (PubChem CID 162461468) has the molecular formula C39H21FN4OPt and a molecular weight of 775.70 g/mol. Its IUPAC name is 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)
• PubChem CID: 162461468
• Molecular Formula: C39H21FN4OPt
• Molecular Weight: 775.70 g/mol
• Exact Mass: 775.13
• IUPAC Name: 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)
• SMILES: FC(c1[c-]c2c(cc1)c1ccccc1n1ccnc21)c1[c-]c2c(cc1)c1c3oc4ccccc4c3ccc1n2-c1ccccn1.[Pt+2]
• InChI: InChI=1S/C39H21FN4O.Pt/c40-37(23-12-14-25-26-7-1-3-9-31(26)43-20-19-42-39(43)30(25)21-23)24-13-15-29-33(22-24)44(35-11-5-6-18-41-35)32-17-16-28-27-8-2-4-10-34(27)45-38(28)36(29)32;/h1-20,37H;/q-2;+2
• InChIKey: SHFVHZSWYMVVLP-UHFFFAOYSA-N
• XLogP: 9.69
• TPSA: 48.26 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.70
LogP ≤ 5	9.69
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 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)?

The IUPAC name of 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+) (CID 162461468) is 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+).

What is the SMILES notation for 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)?

The canonical SMILES for 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+) is FC(c1[c-]c2c(cc1)c1ccccc1n1ccnc21)c1[c-]c2c(cc1)c1c3oc4ccccc4c3ccc1n2-c1ccccn1.[Pt+2].

What is the InChIKey of 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)?

The InChIKey is SHFVHZSWYMVVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H21FN4O.Pt/c40-37(23-12-14-25-26-7-1-3-9-31(26)43-20-19-42-39(43)30(25)21-23)24-13-15-29-33(22-24)44(35-11-5-6-18-41-35)32-17-16-28-27-8-2-4-10-34(27)45-38(28)36(29)32;/h1-20,37H;/q-2;+2.

What are the key properties of 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+)?

3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+) has a molecular weight of 775.70 g/mol, XLogP of 9.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[fluoro(12H-imidazo[1,2-f]phenanthridin-12-id-11-yl)methyl]-5-pyridin-2-yl-4H-[1]benzofuro[3,2-c]carbazol-4-ide;platinum(2+) is sourced from PubChem (CID 162461468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).