bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium

C42H46HfN4-4 — CID 20637585

About bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium

bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium (PubChem CID 20637585) has the molecular formula C42H46HfN4-4 and a molecular weight of 785.35 g/mol. Its IUPAC name is bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium.

Molecular Properties

• Compound Name: bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium
• PubChem CID: 20637585
• Molecular Formula: C42H46HfN4-4
• Molecular Weight: 785.35 g/mol
• Exact Mass: 786.32
• IUPAC Name: bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium
• SMILES: CC(C)c1cccc(C(C)C)c1[N-]C(c1cccc(-c2[c-]cccc2)n1)c1cc2ccccc2c2ccccc12.C[N-]C.C[N-]C.[Hf]
• InChI: InChI=1S/C38H34N2.2C2H6N.Hf/c1-25(2)29-20-12-21-30(26(3)4)37(29)40-38(36-23-13-22-35(39-36)27-14-6-5-7-15-27)34-24-28-16-8-9-17-31(28)32-18-10-11-19-33(32)34;2*1-3-2;/h5-14,16-26,38H,1-4H3;2*1-2H3;/q-2;2*-1
• InChIKey: LSUKNUBCUBZSEJ-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 55.19 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.35
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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 bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium?

The IUPAC name of bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium (CID 20637585) is bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium.

What is the SMILES notation for bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium?

The canonical SMILES for bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium is CC(C)c1cccc(C(C)C)c1[N-]C(c1cccc(-c2[c-]cccc2)n1)c1cc2ccccc2c2ccccc12.C[N-]C.C[N-]C.[Hf].

What is the InChIKey of bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium?

The InChIKey is LSUKNUBCUBZSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34N2.2C2H6N.Hf/c1-25(2)29-20-12-21-30(26(3)4)37(29)40-38(36-23-13-22-35(39-36)27-14-6-5-7-15-27)34-24-28-16-8-9-17-31(28)32-18-10-11-19-33(32)34;2*1-3-2;/h5-14,16-26,38H,1-4H3;2*1-2H3;/q-2;2*-1;.

What are the key properties of bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium?

bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium has a molecular weight of 785.35 g/mol, XLogP of 12.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium is sourced from PubChem (CID 20637585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).