[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)

C182H208F2Hf4N20Zr-17 — CID 161245645

About [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)

[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+) (PubChem CID 161245645) has the molecular formula C182H208F2Hf4N20Zr-17 and a molecular weight of 3518.99 g/mol. Its IUPAC name is [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+).

Molecular Properties

• Compound Name: [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)
• PubChem CID: 161245645
• Molecular Formula: C182H208F2Hf4N20Zr-17
• Molecular Weight: 3518.99 g/mol
• Exact Mass: 3521.39
• IUPAC Name: [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)
• SMILES: CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]cc(F)cc2)n1.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]cccc2)n1.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]cccc2)n1.CCc1cccc(CC)c1[N-]C(c1cccc(-c2[c-]cc(F)cc2)n1)c1cc2ccccc2c2ccccc12.CCc1cccc(CC)c1[N-]C(c1cccc(-c2[c-]cccc2)n1)c1c2ccccc2cc2ccccc12.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Hf].[Hf].[Hf].[Hf].[Zr+3]
• InChI: InChI=1S/C36H29FN2.C36H30N2.C30H29FN2.2C30H30N2.10C2H6N.4Hf.Zr/c1-3-24-12-9-13-25(4-2)35(24)39-36(34-18-10-17-33(38-34)26-19-21-28(37)22-20-26)32-23-27-11-5-6-14-29(27)30-15-7-8-16-31(30)32;1-3-25-18-12-19-26(4-2)35(25)38-36(33-23-13-22-32(37-33)27-14-6-5-7-15-27)34-30-20-10-8-16-28(30)24-29-17-9-11-21-31(29)34;1-20(2)25-12-8-13-26(21(3)4)30(25)33-29(23-10-6-5-7-11-23)28-15-9-14-27(32-28)22-16-18-24(31)19-17-22;2*1-21(2)25-17-11-18-26(22(3)4)30(25)32-29(24-15-9-6-10-16-24)28-20-12-19-27(31-28)23-13-7-5-8-14-23;10*1-3-2;;;;;/h5-19,21-23,36H,3-4H2,1-2H3;5-14,16-24,36H,3-4H2,1-2H3;5-16,18-21,29H,1-4H3;2*5-13,15-22,29H,1-4H3;10*1-2H3;;;;;/q5*-2;10*-1;;;;;+3
• InChIKey: IOZJPVIRYSCSDF-UHFFFAOYSA-N
• XLogP: 51.78
• TPSA: 275.95 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 35
• Heavy Atoms: 209
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3518.99
LogP ≤ 5	51.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)?

The IUPAC name of [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+) (CID 161245645) is [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+).

What is the SMILES notation for [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)?

The canonical SMILES for [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+) is CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]cc(F)cc2)n1.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]cccc2)n1.CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1cccc(-c2[c-]cccc2)n1.CCc1cccc(CC)c1[N-]C(c1cccc(-c2[c-]cc(F)cc2)n1)c1cc2ccccc2c2ccccc12.CCc1cccc(CC)c1[N-]C(c1cccc(-c2[c-]cccc2)n1)c1c2ccccc2cc2ccccc12.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.C[N-]C.[Hf].[Hf].[Hf].[Hf].[Zr+3].

What is the InChIKey of [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)?

The InChIKey is IOZJPVIRYSCSDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29FN2.C36H30N2.C30H29FN2.2C30H30N2.10C2H6N.4Hf.Zr/c1-3-24-12-9-13-25(4-2)35(24)39-36(34-18-10-17-33(38-34)26-19-21-28(37)22-20-26)32-23-27-11-5-6-14-29(27)30-15-7-8-16-31(30)32;1-3-25-18-12-19-26(4-2)35(25)38-36(33-23-13-22-32(37-33)27-14-6-5-7-15-27)34-30-20-10-8-16-28(30)24-29-17-9-11-21-31(29)34;1-20(2)25-12-8-13-26(21(3)4)30(25)33-29(23-10-6-5-7-11-23)28-15-9-14-27(32-28)22-16-18-24(31)19-17-22;2*1-21(2)25-17-11-18-26(22(3)4)30(25)32-29(24-15-9-6-10-16-24)28-20-12-19-27(31-28)23-13-7-5-8-14-23;10*1-3-2;;;;;/h5-19,21-23,36H,3-4H2,1-2H3;5-14,16-24,36H,3-4H2,1-2H3;5-16,18-21,29H,1-4H3;2*5-13,15-22,29H,1-4H3;10*1-2H3;;;;;/q5*-2;10*-1;;;;;+3.

What are the key properties of [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+)?

[anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+) has a molecular weight of 3518.99 g/mol, XLogP of 51.78, 35 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [anthracen-9-yl-(6-phenyl-2-pyridinyl)methyl]-(2,6-diethylphenyl)azanide;(2,6-diethylphenyl)-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenanthren-9-ylmethyl]azanide;decakis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]-phenylmethyl]azanide;bis([2,6-di(propan-2-yl)phenyl]-[phenyl-(6-phenyl-2-pyridinyl)methyl]azanide);hafnium;zirconium(3+) is sourced from PubChem (CID 161245645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).