[2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+)

C103H110N6Zr2- — CID 158698687

About [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+)

[2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+) (PubChem CID 158698687) has the molecular formula C103H110N6Zr2- and a molecular weight of 1614.50 g/mol. Its IUPAC name is [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+).

Molecular Properties

• Compound Name: [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+)
• PubChem CID: 158698687
• Molecular Formula: C103H110N6Zr2-
• Molecular Weight: 1614.50 g/mol
• Exact Mass: 1610.69
• IUPAC Name: [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+)
• SMILES: CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1nn(C)c2ccccc12.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1nn(C)c2ccccc12.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+3].[Zr+4]
• InChI: InChI=1S/C27H31N3.C27H30N3.7C7H7.2Zr/c2*1-18(2)21-15-11-16-22(19(3)4)26(21)28-25(20-12-7-6-8-13-20)27-23-14-9-10-17-24(23)30(5)29-27;7*1-7-5-3-2-4-6-7;;/h6-19,25,28H,1-5H3;6-19,25H,1-5H3;7*2-6H,1H2;;/q;8*-1;+3;+4
• InChIKey: XWBGUTUZYKRJGL-UHFFFAOYSA-N
• XLogP: 27.71
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1614.50
LogP ≤ 5	27.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+)?

The IUPAC name of [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+) (CID 158698687) is [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+).

What is the SMILES notation for [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+)?

The canonical SMILES for [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+) is CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1nn(C)c2ccccc12.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1nn(C)c2ccccc12.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Zr+3].[Zr+4].

What is the InChIKey of [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+)?

The InChIKey is XWBGUTUZYKRJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3.C27H30N3.7C7H7.2Zr/c2*1-18(2)21-15-11-16-22(19(3)4)26(21)28-25(20-12-7-6-8-13-20)27-23-14-9-10-17-24(23)30(5)29-27;7*1-7-5-3-2-4-6-7;;/h6-19,25,28H,1-5H3;6-19,25H,1-5H3;7*2-6H,1H2;;/q;8*-1;+3;+4.

What are the key properties of [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+)?

[2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+) has a molecular weight of 1614.50 g/mol, XLogP of 27.71, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2,6-di(propan-2-yl)phenyl]-[(1-methylindazol-3-yl)-phenylmethyl]azanide;methanidylbenzene;N-[(1-methylindazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;zirconium(3+);zirconium(4+) is sourced from PubChem (CID 158698687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).