tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium

C35H50HfN6-4 — CID 140503202

IUPACtris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium
SMILESCC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1nc(-c2ccccc2)cn1C.C[N-]C.C[N-]C.C[N-]C.[Hf]
InChIInChI=1S/C29H32N3.3C2H6N.Hf/c1-20(2)24-17-12-18-25(21(3)4)28(24)31-27(23-15-10-7-11-16-23)29-30-26(19-32(29)5)22-13-8-6-9-14-22;3*1-3-2;/h6-21,27H,1-5H3;3*1-2H3;/q4*-1;
InChIKeyQNVHFDGYUVXOSF-UHFFFAOYSA-N
MW733.32 g/mol
LogP9.99
Rot. Bonds7

About tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium (PubChem CID 140503202) has the molecular formula C35H50HfN6-4 and a molecular weight of 733.32 g/mol. Its IUPAC name is tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium.

Molecular Properties

Compound Nametris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium
PubChem CID140503202
Molecular FormulaC35H50HfN6-4
Molecular Weight733.32 g/mol
Exact Mass734.36
IUPAC Nametris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium
SMILESCC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1nc(-c2ccccc2)cn1C.C[N-]C.C[N-]C.C[N-]C.[Hf]
InChIInChI=1S/C29H32N3.3C2H6N.Hf/c1-20(2)24-17-12-18-25(21(3)4)28(24)31-27(23-15-10-7-11-16-23)29-30-26(19-32(29)5)22-13-8-6-9-14-22;3*1-3-2;/h6-21,27H,1-5H3;3*1-2H3;/q4*-1;
InChIKeyQNVHFDGYUVXOSF-UHFFFAOYSA-N
XLogP9.99
TPSA74.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.32
LogP ≤ 59.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylbenzimidazol-2-yl)-phenylmethyl]azanide;zirconium(4+)
CID 58637080
tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;hafnium(4+)
CID 58637093
tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-1-benzofuran-3-yl)-1-methylimidazol-2-yl]-(2-phenylphenyl)methyl]azanide;zirconium(4+)
CID 58637078
carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine
CID 158936847
carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)
CID 58637105
bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[[4-(2-ethyl-4H-1-benzofuran-4-id-3-yl)-1-methylimidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]azanide;hafnium(4+)
CID 58933081
[(4-anthracen-9-yl-1,3-thiazol-2-yl)-phenylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;carbanide;hafnium
CID 140503217
[[1-benzyl-4-(2-ethyl-1-benzofuran-3-yl)imidazol-2-yl]-[2,4,6-tri(propan-2-yl)phenyl]methyl]-[2,6-di(propan-2-yl)phenyl]azanide;tris(dimethylazanide);hafnium
CID 140503203
carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(2-methyl-1-benzothiophen-3-yl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium
CID 140503166
carbanide;[(6-cyclopentyl-2-pyridinyl)-phenylmethyl]-[2,6-di(propan-2-yl)phenyl]azanide;zirconium(4+)
CID 59600729
bis([2,6-di(propan-2-yl)phenyl]-(4-hydroxy-4-phenylbutan-2-yl)azanide);nickel(2+)
CID 5246284
bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenanthren-9-yl-(6-phenyl-2-pyridinyl)methyl]azanide;hafnium
CID 20637585

Frequently Asked Questions

What is the IUPAC name of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium?
The IUPAC name of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium (CID 140503202) is tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium.
What is the SMILES notation for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium?
The canonical SMILES for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium is CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1nc(-c2ccccc2)cn1C.C[N-]C.C[N-]C.C[N-]C.[Hf].
What is the InChIKey of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium?
The InChIKey is QNVHFDGYUVXOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N3.3C2H6N.Hf/c1-20(2)24-17-12-18-25(21(3)4)28(24)31-27(23-15-10-7-11-16-23)29-30-26(19-32(29)5)22-13-8-6-9-14-22;3*1-3-2;/h6-21,27H,1-5H3;3*1-2H3;/q4*-1;.
What are the key properties of tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium?
tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium has a molecular weight of 733.32 g/mol, XLogP of 9.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tris(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[(1-methyl-4-phenylimidazol-2-yl)-phenylmethyl]azanide;hafnium is sourced from PubChem (CID 140503202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).