hafnium(4+);tetrakis(quinolin-8-olate);toluene

C50H40HfN4O4 — CID 139077805

IUPAChafnium(4+);tetrakis(quinolin-8-olate);toluene
SMILESCc1ccccc1.Cc1ccccc1.[Hf+4].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/4C9H7NO.2C7H8.Hf/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-7-5-3-2-4-6-7;/h4*1-6,11H;2*2-6H,1H3;/q;;;;;;+4/p-4
InChIKeyMHWMINNGAKEZAD-UHFFFAOYSA-J
MW939.38 g/mol
LogP9.22
Rot. Bonds

About hafnium(4+);tetrakis(quinolin-8-olate);toluene

hafnium(4+);tetrakis(quinolin-8-olate);toluene (PubChem CID 139077805) has the molecular formula C50H40HfN4O4 and a molecular weight of 939.38 g/mol. Its IUPAC name is hafnium(4+);tetrakis(quinolin-8-olate);toluene.

Molecular Properties

Compound Namehafnium(4+);tetrakis(quinolin-8-olate);toluene
PubChem CID139077805
Molecular FormulaC50H40HfN4O4
Molecular Weight939.38 g/mol
Exact Mass940.25
IUPAC Namehafnium(4+);tetrakis(quinolin-8-olate);toluene
SMILESCc1ccccc1.Cc1ccccc1.[Hf+4].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12
InChIInChI=1S/4C9H7NO.2C7H8.Hf/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-7-5-3-2-4-6-7;/h4*1-6,11H;2*2-6H,1H3;/q;;;;;;+4/p-4
InChIKeyMHWMINNGAKEZAD-UHFFFAOYSA-J
XLogP9.22
TPSA143.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500939.38
LogP ≤ 59.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

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magnesium;chloroform;bis(dysprosium(3+));octakis(quinolin-8-olate)
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potassium;quinolin-8-olate;sulfuric acid
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tricopper;bis(2-oxidobenzoate);bis(quinolin-8-olate)
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benzo[h]quinolin-10-olate
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Frequently Asked Questions

What is the IUPAC name of hafnium(4+);tetrakis(quinolin-8-olate);toluene?
The IUPAC name of hafnium(4+);tetrakis(quinolin-8-olate);toluene (CID 139077805) is hafnium(4+);tetrakis(quinolin-8-olate);toluene.
What is the SMILES notation for hafnium(4+);tetrakis(quinolin-8-olate);toluene?
The canonical SMILES for hafnium(4+);tetrakis(quinolin-8-olate);toluene is Cc1ccccc1.Cc1ccccc1.[Hf+4].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.
What is the InChIKey of hafnium(4+);tetrakis(quinolin-8-olate);toluene?
The InChIKey is MHWMINNGAKEZAD-UHFFFAOYSA-J. The full InChI is InChI=1S/4C9H7NO.2C7H8.Hf/c4*11-8-5-1-3-7-4-2-6-10-9(7)8;2*1-7-5-3-2-4-6-7;/h4*1-6,11H;2*2-6H,1H3;/q;;;;;;+4/p-4.
What are the key properties of hafnium(4+);tetrakis(quinolin-8-olate);toluene?
hafnium(4+);tetrakis(quinolin-8-olate);toluene has a molecular weight of 939.38 g/mol, XLogP of 9.22, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);tetrakis(quinolin-8-olate);toluene is sourced from PubChem (CID 139077805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).