carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)

C28H40HfN4 — CID 174979817

IUPACcarbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)
SMILESCN(C)c1ccc(N(C)C)c2[cH-]ccc12.CN(C)c1ccc(N(C)C)c2[cH-]ccc12.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/2C13H17N2.2CH3.Hf/c2*1-14(2)12-8-9-13(15(3)4)11-7-5-6-10(11)12;;;/h2*5-9H,1-4H3;2*1H3;/q4*-1;+4
InChIKeyMDIAQWBRYCHLEZ-UHFFFAOYSA-N
MW611.15 g/mol
LogP6.28
Rot. Bonds4

About carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)

carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine) (PubChem CID 174979817) has the molecular formula C28H40HfN4 and a molecular weight of 611.15 g/mol. Its IUPAC name is carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine).

Molecular Properties

Compound Namecarbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)
PubChem CID174979817
Molecular FormulaC28H40HfN4
Molecular Weight611.15 g/mol
Exact Mass612.27
IUPAC Namecarbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)
SMILESCN(C)c1ccc(N(C)C)c2[cH-]ccc12.CN(C)c1ccc(N(C)C)c2[cH-]ccc12.[CH3-].[CH3-].[Hf+4]
InChIInChI=1S/2C13H17N2.2CH3.Hf/c2*1-14(2)12-8-9-13(15(3)4)11-7-5-6-10(11)12;;;/h2*5-9H,1-4H3;2*1H3;/q4*-1;+4
InChIKeyMDIAQWBRYCHLEZ-UHFFFAOYSA-N
XLogP6.28
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.15
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)?
The IUPAC name of carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine) (CID 174979817) is carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine).
What is the SMILES notation for carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)?
The canonical SMILES for carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine) is CN(C)c1ccc(N(C)C)c2[cH-]ccc12.CN(C)c1ccc(N(C)C)c2[cH-]ccc12.[CH3-].[CH3-].[Hf+4].
What is the InChIKey of carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)?
The InChIKey is MDIAQWBRYCHLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17N2.2CH3.Hf/c2*1-14(2)12-8-9-13(15(3)4)11-7-5-6-10(11)12;;;/h2*5-9H,1-4H3;2*1H3;/q4*-1;+4.
What are the key properties of carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine)?
carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine) has a molecular weight of 611.15 g/mol, XLogP of 6.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;hafnium(4+);bis(4-N,4-N,7-N,7-N-tetramethyl-1H-inden-1-ide-4,7-diamine) is sourced from PubChem (CID 174979817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).