carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)

C33H42HfN2S — CID 58637105

About carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)

carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+) (PubChem CID 58637105) has the molecular formula C33H42HfN2S and a molecular weight of 677.27 g/mol. Its IUPAC name is carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+).

Molecular Properties

• Compound Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)
• PubChem CID: 58637105
• Molecular Formula: C33H42HfN2S
• Molecular Weight: 677.27 g/mol
• Exact Mass: 678.25
• IUPAC Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)
• SMILES: CCc1ccc(-c2csc(C([N-]c3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)cc1.[CH3-].[CH3-].[CH3-].[Hf+4]
• InChI: InChI=1S/C30H33N2S.3CH3.Hf/c1-6-22-15-17-23(18-16-22)27-19-33-30(31-27)28(24-11-8-7-9-12-24)32-29-25(20(2)3)13-10-14-26(29)21(4)5;;;;/h7-21,28H,6H2,1-5H3;3*1H3;/q4*-1;+4
• InChIKey: ARAYRANUTGJUTJ-UHFFFAOYSA-N
• XLogP: 10.76
• TPSA: 26.99 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	677.27
LogP ≤ 5	10.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)?

The IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+) (CID 58637105) is carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+).

What is the SMILES notation for carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)?

The canonical SMILES for carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+) is CCc1ccc(-c2csc(C([N-]c3c(C(C)C)cccc3C(C)C)c3ccccc3)n2)cc1.[CH3-].[CH3-].[CH3-].[Hf+4].

What is the InChIKey of carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)?

The InChIKey is ARAYRANUTGJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N2S.3CH3.Hf/c1-6-22-15-17-23(18-16-22)27-19-33-30(31-27)28(24-11-8-7-9-12-24)32-29-25(20(2)3)13-10-14-26(29)21(4)5;;;;/h7-21,28H,6H2,1-5H3;3*1H3;/q4*-1;+4.

What are the key properties of carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+)?

carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+) has a molecular weight of 677.27 g/mol, XLogP of 10.76, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[2,6-di(propan-2-yl)phenyl]-[[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-phenylmethyl]azanide;hafnium(4+) is sourced from PubChem (CID 58637105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).