tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+))

C79H90N14O3Yb2 — CID 139174474

About tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+))

tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+)) (PubChem CID 139174474) has the molecular formula C79H90N14O3Yb2 and a molecular weight of 1629.76 g/mol. Its IUPAC name is tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+)).

Molecular Properties

• Compound Name: tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+))
• PubChem CID: 139174474
• Molecular Formula: C79H90N14O3Yb2
• Molecular Weight: 1629.76 g/mol
• Exact Mass: 1630.61
• IUPAC Name: tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+))
• SMILES: CC(C)c1cccc(C(C)C)c1/N=C(/[O-])c1cc2ccccc2[n-]1.CC(C)c1cccc(C(C)C)c1/N=C(/[O-])c1cc2ccccc2[n-]1.CC(C)c1cccc(C(C)C)c1/N=C(/[O-])c1cc2ccccc2[n-]1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.[Yb+3].[Yb+3]
• InChI: InChI=1S/3C21H23N2O.4C4H6N2.2Yb/c3*1-13(2)16-9-7-10-17(14(3)4)20(16)23-21(24)19-12-15-8-5-6-11-18(15)22-19;4*1-6-3-2-5-4-6;;/h3*5-14H,1-4H3,(H-,22,23,24);4*2-4H,1H3;;/q3*-1;;;;;2*+3/p-3
• InChIKey: PFZYBUMEHNOYLE-UHFFFAOYSA-K
• XLogP: 15.13
• TPSA: 219.84 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1629.76
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+))?

The IUPAC name of tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+)) (CID 139174474) is tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+)).

What is the SMILES notation for tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+))?

The canonical SMILES for tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+)) is CC(C)c1cccc(C(C)C)c1/N=C(/[O-])c1cc2ccccc2[n-]1.CC(C)c1cccc(C(C)C)c1/N=C(/[O-])c1cc2ccccc2[n-]1.CC(C)c1cccc(C(C)C)c1/N=C(/[O-])c1cc2ccccc2[n-]1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.Cn1ccnc1.[Yb+3].[Yb+3].

What is the InChIKey of tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+))?

The InChIKey is PFZYBUMEHNOYLE-UHFFFAOYSA-K. The full InChI is InChI=1S/3C21H23N2O.4C4H6N2.2Yb/c3*1-13(2)16-9-7-10-17(14(3)4)20(16)23-21(24)19-12-15-8-5-6-11-18(15)22-19;4*1-6-3-2-5-4-6;;/h3*5-14H,1-4H3,(H-,22,23,24);4*2-4H,1H3;;/q3*-1;;;;;2*+3/p-3.

What are the key properties of tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+))?

tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+)) has a molecular weight of 1629.76 g/mol, XLogP of 15.13, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for tris(N-[2,6-di(propan-2-yl)phenyl]indol-1-ide-2-carboximidate);tetrakis(1-methylimidazole);bis(ytterbium(3+)) is sourced from PubChem (CID 139174474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).