carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)

C37H40HfN2 — CID 20792699

About carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)

carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+) (PubChem CID 20792699) has the molecular formula C37H40HfN2 and a molecular weight of 691.23 g/mol. Its IUPAC name is carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+).

Molecular Properties

• Compound Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)
• PubChem CID: 20792699
• Molecular Formula: C37H40HfN2
• Molecular Weight: 691.23 g/mol
• Exact Mass: 692.27
• IUPAC Name: carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)
• SMILES: [CH2-][n+]1c(-c2[c-]ccc3ccccc23)cccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.[CH3-].[CH3-].[Hf+4]
• InChI: InChI=1S/C35H34N2.2CH3.Hf/c1-24(2)28-19-12-20-29(25(3)4)35(28)36-34(27-15-7-6-8-16-27)33-23-13-22-32(37(33)5)31-21-11-17-26-14-9-10-18-30(26)31;;;/h6-20,22-25,34H,5H2,1-4H3;2*1H3;/q-2;2*-1;+4
• InChIKey: SSKVRVLPMRVXOM-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 17.98 Ų
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	691.23
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)?

The IUPAC name of carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+) (CID 20792699) is carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+).

What is the SMILES notation for carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)?

The canonical SMILES for carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+) is [CH2-][n+]1c(-c2[c-]ccc3ccccc23)cccc1C([N-]c1c(C(C)C)cccc1C(C)C)c1ccccc1.[CH3-].[CH3-].[Hf+4].

What is the InChIKey of carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)?

The InChIKey is SSKVRVLPMRVXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2.2CH3.Hf/c1-24(2)28-19-12-20-29(25(3)4)35(28)36-34(27-15-7-6-8-16-27)33-23-13-22-32(37(33)5)31-21-11-17-26-14-9-10-18-30(26)31;;;/h6-20,22-25,34H,5H2,1-4H3;2*1H3;/q-2;2*-1;+4.

What are the key properties of carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+)?

carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+) has a molecular weight of 691.23 g/mol, XLogP of 10.17, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for carbanide;[2,6-di(propan-2-yl)phenyl]-[[1-methanidyl-6-(2H-naphthalen-2-id-1-yl)pyridin-1-ium-2-yl]-phenylmethyl]azanide;hafnium(4+) is sourced from PubChem (CID 20792699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).