N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene

C117H118Hf2N6 — CID 157320842

About N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene

N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene (PubChem CID 157320842) has the molecular formula C117H118Hf2N6 and a molecular weight of 1965.25 g/mol. Its IUPAC name is N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene.

Molecular Properties

• Compound Name: N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene
• PubChem CID: 157320842
• Molecular Formula: C117H118Hf2N6
• Molecular Weight: 1965.25 g/mol
• Exact Mass: 1966.83
• IUPAC Name: N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene
• SMILES: CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cc(-c2ccccc2)n(-c2[c-]cccc2)n1.Cc1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf+4]
• InChI: InChI=1S/C34H35N3.C34H33N3.C7H8.6C7H7.2Hf/c2*1-24(2)29-21-14-22-30(25(3)4)34(29)35-33(27-17-10-6-11-18-27)31-23-32(26-15-8-5-9-16-26)37(36-31)28-19-12-7-13-20-28;7*1-7-5-3-2-4-6-7;;/h5-25,33,35H,1-4H3;5-19,21-25,33H,1-4H3;2-6H,1H3;6*2-6H,1H2;;/q;-2;;6*-1;2*+4
• InChIKey: KUSFMLIDKBZNIH-UHFFFAOYSA-N
• XLogP: 31.57
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 16
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1965.25
LogP ≤ 5	31.57
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 N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene?

The IUPAC name of N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene (CID 157320842) is N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene.

What is the SMILES notation for N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene?

The canonical SMILES for N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene is CC(C)c1cccc(C(C)C)c1NC(c1ccccc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cc(-c2ccccc2)n(-c2[c-]cccc2)n1.Cc1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[CH2-]c1ccccc1.[Hf+4].[Hf+4].

What is the InChIKey of N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene?

The InChIKey is KUSFMLIDKBZNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35N3.C34H33N3.C7H8.6C7H7.2Hf/c2*1-24(2)29-21-14-22-30(25(3)4)34(29)35-33(27-17-10-6-11-18-27)31-23-32(26-15-8-5-9-16-26)37(36-31)28-19-12-7-13-20-28;7*1-7-5-3-2-4-6-7;;/h5-25,33,35H,1-4H3;5-19,21-25,33H,1-4H3;2-6H,1H3;6*2-6H,1H2;;/q;-2;;6*-1;2*+4.

What are the key properties of N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene?

N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene has a molecular weight of 1965.25 g/mol, XLogP of 31.57, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,5-diphenylpyrazol-3-yl)-phenylmethyl]-2,6-di(propan-2-yl)aniline;[2,6-di(propan-2-yl)phenyl]-[phenyl-(5-phenyl-1-phenylpyrazol-3-yl)methyl]azanide;bis(hafnium(4+));methanidylbenzene;toluene is sourced from PubChem (CID 157320842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).