carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine

C34H49HfN5S-4 — CID 158936847

About carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine

carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine (PubChem CID 158936847) has the molecular formula C34H49HfN5S-4 and a molecular weight of 738.36 g/mol. Its IUPAC name is carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine.

Molecular Properties

• Compound Name: carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine
• PubChem CID: 158936847
• Molecular Formula: C34H49HfN5S-4
• Molecular Weight: 738.36 g/mol
• Exact Mass: 739.32
• IUPAC Name: carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine
• SMILES: CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1csc(-c2ccccc2)n1.CN.C[N-]C.C[N-]C.[CH3-].[Hf]
• InChI: InChI=1S/C28H29N2S.2C2H6N.CH5N.CH3.Hf/c1-19(2)23-16-11-17-24(20(3)4)27(23)30-26(21-12-7-5-8-13-21)25-18-31-28(29-25)22-14-9-6-10-15-22;2*1-3-2;1-2;;/h5-20,26H,1-4H3;2*1-2H3;2H2,1H3;1H3;/q3*-1;;-1
• InChIKey: PZOCPVOKJVEDMW-UHFFFAOYSA-N
• XLogP: 10.11
• TPSA: 81.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	738.36
LogP ≤ 5	10.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine?

The IUPAC name of carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine (CID 158936847) is carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine.

What is the SMILES notation for carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine?

The canonical SMILES for carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine is CC(C)c1cccc(C(C)C)c1[N-]C(c1ccccc1)c1csc(-c2ccccc2)n1.CN.C[N-]C.C[N-]C.[CH3-].[Hf].

What is the InChIKey of carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine?

The InChIKey is PZOCPVOKJVEDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N2S.2C2H6N.CH5N.CH3.Hf/c1-19(2)23-16-11-17-24(20(3)4)27(23)30-26(21-12-7-5-8-13-21)25-18-31-28(29-25)22-14-9-6-10-15-22;2*1-3-2;1-2;;/h5-20,26H,1-4H3;2*1-2H3;2H2,1H3;1H3;/q3*-1;;-1;.

What are the key properties of carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine?

carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine has a molecular weight of 738.36 g/mol, XLogP of 10.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;bis(dimethylazanide);[2,6-di(propan-2-yl)phenyl]-[phenyl-(2-phenyl-1,3-thiazol-4-yl)methyl]azanide;hafnium;methanamine is sourced from PubChem (CID 158936847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).