5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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 154611397

About 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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+)

5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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 154611397) has the molecular formula C54H48N4OPt and a molecular weight of 964.08 g/mol. Its IUPAC name is 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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: 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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: 154611397
• Molecular Formula: C54H48N4OPt
• Molecular Weight: 964.08 g/mol
• Exact Mass: 963.35
• IUPAC Name: 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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-c1ccc2c(c1)c1ccc(Oc3[c-]c4c(cc3)c3cccc(-c5c(C(C)C)cccc5C(C)C)c3n3ccnc43)[c-]c1c1nccn21.[Pt+2]
• InChI: InChI=1S/C54H48N4O.Pt/c1-31(2)38-12-9-13-39(32(3)4)50(38)35-18-23-49-46(28-35)43-22-20-37(30-48(43)53-55-24-26-57(49)53)59-36-19-21-42-44-16-11-17-45(52(44)58-27-25-56-54(58)47(42)29-36)51-40(33(5)6)14-10-15-41(51)34(7)8;/h9-28,31-34H,1-8H3;/q-2;+2
• InChIKey: BJEIAMKMLWQZPL-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 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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 154611397) is 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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-c1ccc2c(c1)c1ccc(Oc3[c-]c4c(cc3)c3cccc(-c5c(C(C)C)cccc5C(C)C)c3n3ccnc43)[c-]c1c1nccn21.[Pt+2].

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

What are the key properties of 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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+)?

5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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 5-[2,6-di(propan-2-yl)phenyl]-11-[[7-[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 154611397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).