3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C54H48N4OPt — CID 140593918

About 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 140593918) has the molecular formula C54H48N4OPt and a molecular weight of 964.08 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)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: 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 140593918
• Molecular Formula: C54H48N4OPt
• Molecular Weight: 964.08 g/mol
• Exact Mass: 963.35
• IUPAC Name: 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6c(C(C)C)cccc6C(C)C)cnc54)ccc3c3ccccc3n12.[Pt+2]
• InChI: InChI=1S/C54H48N4O.Pt/c1-31(2)37-17-13-18-38(32(3)4)51(37)49-29-55-53-45-27-35(23-25-41(45)43-15-9-11-21-47(43)57(49)53)59-36-24-26-42-44-16-10-12-22-48(44)58-50(30-56-54(58)46(42)28-36)52-39(33(5)6)19-14-20-40(52)34(7)8;/h9-26,29-34H,1-8H3;/q-2;+2
• InChIKey: XKCMXXUJTQSFCL-UHFFFAOYSA-N
• XLogP: 14.81
• TPSA: 43.83 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	964.08
LogP ≤ 5	14.81
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-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)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 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 140593918) is 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)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 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)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 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n4c(-c6c(C(C)C)cccc6C(C)C)cnc54)ccc3c3ccccc3n12.[Pt+2].

What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)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 XKCMXXUJTQSFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H48N4O.Pt/c1-31(2)37-17-13-18-38(32(3)4)51(37)49-29-55-53-45-27-35(23-25-41(45)43-15-9-11-21-47(43)57(49)53)59-36-24-26-42-44-16-10-12-22-48(44)58-50(30-56-54(58)46(42)28-36)52-39(33(5)6)19-14-20-40(52)34(7)8;/h9-26,29-34H,1-8H3;/q-2;+2.

What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)phenyl]-12H-imidazo[1,2-f]phenanthridin-12-id-11-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)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 964.08 g/mol, XLogP of 14.81, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-di(propan-2-yl)phenyl]-11-[[3-[2,6-di(propan-2-yl)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 140593918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).