hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)

C36H28HfN4 — CID 58249962

IUPAChafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)
SMILES[Hf+4].c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1
InChIInChI=1S/2C18H14N2.Hf/c2*1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;/h2*1-14H;/q2*-2;+4
InChIKeyQNOHVJFIGSPMIB-UHFFFAOYSA-N
MW695.14 g/mol
LogP12.72
Rot. Bonds8

About hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)

hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide) (PubChem CID 58249962) has the molecular formula C36H28HfN4 and a molecular weight of 695.14 g/mol. Its IUPAC name is hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide).

Molecular Properties

Compound Namehafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)
PubChem CID58249962
Molecular FormulaC36H28HfN4
Molecular Weight695.14 g/mol
Exact Mass696.18
IUPAC Namehafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)
SMILES[Hf+4].c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1
InChIInChI=1S/2C18H14N2.Hf/c2*1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;/h2*1-14H;/q2*-2;+4
InChIKeyQNOHVJFIGSPMIB-UHFFFAOYSA-N
XLogP12.72
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.14
LogP ≤ 512.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)?
The IUPAC name of hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide) (CID 58249962) is hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide).
What is the SMILES notation for hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)?
The canonical SMILES for hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide) is [Hf+4].c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1.c1ccc([N-]c2ccccc2[N-]c2ccccc2)cc1.
What is the InChIKey of hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)?
The InChIKey is QNOHVJFIGSPMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14N2.Hf/c2*1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20-16-11-5-2-6-12-16;/h2*1-14H;/q2*-2;+4.
What are the key properties of hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide)?
hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide) has a molecular weight of 695.14 g/mol, XLogP of 12.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(phenyl-(2-phenylazanidylphenyl)azanide) is sourced from PubChem (CID 58249962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).