3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

C39H33N3O2Pt — CID 140593990

About 3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)

3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 140593990) has the molecular formula C39H33N3O2Pt and a molecular weight of 770.79 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-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-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 140593990
• Molecular Formula: C39H33N3O2Pt
• Molecular Weight: 770.79 g/mol
• Exact Mass: 770.22
• IUPAC Name: 3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)
• SMILES: Cc1ccnc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5c(C(C)C)cccc5C(C)C)cnc43)ccc2)c1.[Pt+2]
• InChI: InChI=1S/C39H33N3O2.Pt/c1-24(2)30-13-9-14-31(25(3)4)38(30)36-23-41-39-34-22-29(16-17-32(34)33-12-6-7-15-35(33)42(36)39)43-27-10-8-11-28(21-27)44-37-20-26(5)18-19-40-37;/h6-20,23-25H,1-5H3;/q-2;+2
• InChIKey: CGTKHMSQZDEUOM-UHFFFAOYSA-N
• XLogP: 10.44
• TPSA: 48.65 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.79
LogP ≤ 5	10.44
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-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-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-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) (CID 140593990) is 3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-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-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-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-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is Cc1ccnc(Oc2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n3c(-c5c(C(C)C)cccc5C(C)C)cnc43)ccc2)c1.[Pt+2].

What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is CGTKHMSQZDEUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N3O2.Pt/c1-24(2)30-13-9-14-31(25(3)4)38(30)36-23-41-39-34-22-29(16-17-32(34)33-12-6-7-15-35(33)42(36)39)43-27-10-8-11-28(21-27)44-37-20-26(5)18-19-40-37;/h6-20,23-25H,1-5H3;/q-2;+2.

What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+)?

3-[2,6-di(propan-2-yl)phenyl]-11-[3-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 770.79 g/mol, XLogP of 10.44, 7 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-[(4-methyl-2-pyridinyl)oxy]benzene-2-id-1-yl]oxy-12H-imidazo[1,2-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 140593990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).