3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+)

C₆₇H₅₈IrN₈OPt-4 — CID 140803189

About 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+)

3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+) (PubChem CID 140803189) has the molecular formula C₆₇H₅₈IrN₈OPt-4 and a molecular weight of 1378.55 g/mol. Its IUPAC name is 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+).

Molecular Properties

• Compound Name: 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+)
• PubChem CID: 140803189
• Molecular Formula: C₆₇H₅₈IrN₈OPt-4
• Molecular Weight: 1378.55 g/mol
• Exact Mass: 1378.40
• IUPAC Name: 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+)
• SMILES: CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5cc[c-]c(N6C=CN(C)[CH-]6)c5)ccn4)ccc3c3ccccc3n12.CN1C=CN(c2[c-]cccc2)[CH-]1.[Ir].[Pt+2]
• InChI: InChI=1S/C57H48N6O.C10H10N2.Ir.Pt/c1-36(2)43-18-13-19-44(37(3)4)55(43)53-34-59-56-49-32-41(22-24-45(49)46-16-8-11-21-51(46)63(53)56)64-42-23-25-48-47-17-9-10-20-50(47)62(52(48)33-42)54-31-39(26-27-58-54)57(5,6)38-14-12-15-40(30-38)61-29-28-60(7)35-61;1-11-7-8-12(9-11)10-5-3-2-4-6-10;;/h8-14,16-31,34-37H,1-7H3;2-5,7-9H,1H3;;/q-4;-2;;+2
• InChIKey: NHSIZFIEPPXAJG-UHFFFAOYSA-N
• XLogP: 15.73
• TPSA: 57.31 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1378.55
LogP ≤ 5	15.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+)?

The IUPAC name of 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+) (CID 140803189) is 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+).

What is the SMILES notation for 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+)?

The canonical SMILES for 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+) is CC(C)c1cccc(C(C)C)c1-c1cnc2c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5cc[c-]c(N6C=CN(C)[CH-]6)c5)ccn4)ccc3c3ccccc3n12.CN1C=CN(c2[c-]cccc2)[CH-]1.[Ir].[Pt+2].

What is the InChIKey of 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+)?

The InChIKey is NHSIZFIEPPXAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H48N6O.C10H10N2.Ir.Pt/c1-36(2)43-18-13-19-44(37(3)4)55(43)53-34-59-56-49-32-41(22-24-45(49)46-16-8-11-21-51(46)63(53)56)64-42-23-25-48-47-17-9-10-20-50(47)62(52(48)33-42)54-31-39(26-27-58-54)57(5,6)38-14-12-15-40(30-38)61-29-28-60(7)35-61;1-11-7-8-12(9-11)10-5-3-2-4-6-10;;/h8-14,16-31,34-37H,1-7H3;2-5,7-9H,1H3;;/q-4;-2;;+2.

What are the key properties of 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+)?

3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+) has a molecular weight of 1378.55 g/mol, XLogP of 15.73, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2,6-di(propan-2-yl)phenyl]-11-[[9-[4-[2-[3-(3-methyl-2H-imidazol-2-id-1-yl)benzene-4-id-1-yl]propan-2-yl]-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]-12H-imidazo[1,2-f]phenanthridin-12-ide;iridium;1-methyl-3-phenyl-2H-imidazol-2-ide;platinum(2+) is sourced from PubChem (CID 140803189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 140803189 — identifiers, structure, computed properties (public domain)

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