ethanolate;bis(quinolin-8-olate);bis(titanium(4+))

C30H42N2O8Ti2 — CID 139066411

IUPACethanolate;bis(quinolin-8-olate);bis(titanium(4+))
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Ti+4].[Ti+4]
InChIInChI=1S/2C9H7NO.6C2H5O.2Ti/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;6*1-2-3;;/h2*1-6,11H;6*2H2,1H3;;/q;;6*-1;2*+4/p-2
InChIKeyNUPPDTLWLWODRN-UHFFFAOYSA-L
MW654.41 g/mol
LogP-1.19
Rot. Bonds

About ethanolate;bis(quinolin-8-olate);bis(titanium(4+))

ethanolate;bis(quinolin-8-olate);bis(titanium(4+)) (PubChem CID 139066411) has the molecular formula C30H42N2O8Ti2 and a molecular weight of 654.41 g/mol. Its IUPAC name is ethanolate;bis(quinolin-8-olate);bis(titanium(4+)).

Molecular Properties

Compound Nameethanolate;bis(quinolin-8-olate);bis(titanium(4+))
PubChem CID139066411
Molecular FormulaC30H42N2O8Ti2
Molecular Weight654.41 g/mol
Exact Mass654.19
IUPAC Nameethanolate;bis(quinolin-8-olate);bis(titanium(4+))
SMILESCC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Ti+4].[Ti+4]
InChIInChI=1S/2C9H7NO.6C2H5O.2Ti/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;6*1-2-3;;/h2*1-6,11H;6*2H2,1H3;;/q;;6*-1;2*+4/p-2
InChIKeyNUPPDTLWLWODRN-UHFFFAOYSA-L
XLogP-1.19
TPSA210.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500654.41
LogP ≤ 5-1.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

Oxine-copper
CID 3032555
Hydroxyquinoline sulfate
CID 517000
Tris-(8-hydroxyquinoline)aluminum
CID 16683111
Indium In-111 Oxyquinoline
CID 119117
Stannane, (8-quinolinolato)tributyl-
CID 16683764
Quintiofos
CID 72069
Cunilate
CID 56840841
Tris(8-hydroxyquinolinato)gallium
CID 9806063
Indium oxine
CID 3034762
GNF-Pf-3485
CID 2904976
1-(3-Carbazol-9-yl-2-hydroxy-propyl)-8-hydroxy-quinolinium
CID 2904977
Kryptofix 5
CID 93310

Frequently Asked Questions

What is the IUPAC name of ethanolate;bis(quinolin-8-olate);bis(titanium(4+))?
The IUPAC name of ethanolate;bis(quinolin-8-olate);bis(titanium(4+)) (CID 139066411) is ethanolate;bis(quinolin-8-olate);bis(titanium(4+)).
What is the SMILES notation for ethanolate;bis(quinolin-8-olate);bis(titanium(4+))?
The canonical SMILES for ethanolate;bis(quinolin-8-olate);bis(titanium(4+)) is CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[O-]c1cccc2cccnc12.[O-]c1cccc2cccnc12.[Ti+4].[Ti+4].
What is the InChIKey of ethanolate;bis(quinolin-8-olate);bis(titanium(4+))?
The InChIKey is NUPPDTLWLWODRN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H7NO.6C2H5O.2Ti/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;6*1-2-3;;/h2*1-6,11H;6*2H2,1H3;;/q;;6*-1;2*+4/p-2.
What are the key properties of ethanolate;bis(quinolin-8-olate);bis(titanium(4+))?
ethanolate;bis(quinolin-8-olate);bis(titanium(4+)) has a molecular weight of 654.41 g/mol, XLogP of -1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethanolate;bis(quinolin-8-olate);bis(titanium(4+)) is sourced from PubChem (CID 139066411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).