carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)

C35H41HfN3 — CID 158738165

About carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)

carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) (PubChem CID 158738165) has the molecular formula C35H41HfN3 and a molecular weight of 682.22 g/mol. Its IUPAC name is carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+).

Molecular Properties

• Compound Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)
• PubChem CID: 158738165
• Molecular Formula: C35H41HfN3
• Molecular Weight: 682.22 g/mol
• Exact Mass: 683.28
• IUPAC Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)
• SMILES: CC(C)c1cccc(C(C)C)c1[N-]Cc1cccc(-c2cccc3c2C([N-]c2ccccc2)CC3)n1.[CH3-].[CH3-].[Hf+4]
• InChI: InChI=1S/C33H35N3.2CH3.Hf/c1-22(2)27-15-10-16-28(23(3)4)33(27)34-21-26-14-9-18-30(36-26)29-17-8-11-24-19-20-31(32(24)29)35-25-12-6-5-7-13-25;;;/h5-18,22-23,31H,19-21H2,1-4H3;2*1H3;/q-2;2*-1;+4
• InChIKey: PWROUJDFWUJAIE-UHFFFAOYSA-N
• XLogP: 10.79
• TPSA: 41.09 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.22
LogP ≤ 5	10.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

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]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)?

The IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) (CID 158738165) is carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+).

What is the SMILES notation for carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)?

The canonical SMILES for carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) is CC(C)c1cccc(C(C)C)c1[N-]Cc1cccc(-c2cccc3c2C([N-]c2ccccc2)CC3)n1.[CH3-].[CH3-].[Hf+4].

What is the InChIKey of carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)?

The InChIKey is PWROUJDFWUJAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N3.2CH3.Hf/c1-22(2)27-15-10-16-28(23(3)4)33(27)34-21-26-14-9-18-30(36-26)29-17-8-11-24-19-20-31(32(24)29)35-25-12-6-5-7-13-25;;;/h5-18,22-23,31H,19-21H2,1-4H3;2*1H3;/q-2;2*-1;+4.

What are the key properties of carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+)?

carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) has a molecular weight of 682.22 g/mol, XLogP of 10.79, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[2,6-di(propan-2-yl)phenyl]-[[6-(3-phenylazanidyl-2,3-dihydro-1H-inden-4-yl)-2-pyridinyl]methyl]azanide;hafnium(4+) is sourced from PubChem (CID 158738165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).