di(quinolin-8-yl)azanide;titanium

C18H12N3Ti- — CID 20827876

IUPACdi(quinolin-8-yl)azanide;titanium
SMILES[Ti].c1cnc2c([N-]c3cccc4cccnc34)cccc2c1
InChIInChI=1S/C18H12N3.Ti/c1-5-13-7-3-11-19-17(13)15(9-1)21-16-10-2-6-14-8-4-12-20-18(14)16;/h1-12H;/q-1;
InChIKeyVISNAOPVELMKEE-UHFFFAOYSA-N
MW318.18 g/mol
LogP5.12
Rot. Bonds2

About di(quinolin-8-yl)azanide;titanium

di(quinolin-8-yl)azanide;titanium (PubChem CID 20827876) has the molecular formula C18H12N3Ti- and a molecular weight of 318.18 g/mol. Its IUPAC name is di(quinolin-8-yl)azanide;titanium.

Molecular Properties

Compound Namedi(quinolin-8-yl)azanide;titanium
PubChem CID20827876
Molecular FormulaC18H12N3Ti-
Molecular Weight318.18 g/mol
Exact Mass318.05
IUPAC Namedi(quinolin-8-yl)azanide;titanium
SMILES[Ti].c1cnc2c([N-]c3cccc4cccnc34)cccc2c1
InChIInChI=1S/C18H12N3.Ti/c1-5-13-7-3-11-19-17(13)15(9-1)21-16-10-2-6-14-8-4-12-20-18(14)16;/h1-12H;/q-1;
InChIKeyVISNAOPVELMKEE-UHFFFAOYSA-N
XLogP5.12
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.18
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methylsulfonyl(quinolin-8-yl)azanide
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iridium(3+);1,10-phenanthroline
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osmium;tris(1,10-phenanthroline)
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CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
bis(1,10-phenanthroline);ruthenium
CID 15001085
quinoline-8-selenol
CID 101467585
CID 54604144
CID 54604144
quinolin-8-ol;yttrium
CID 174635627
ethane;quinolin-8-amine
CID 91158659

Frequently Asked Questions

What is the IUPAC name of di(quinolin-8-yl)azanide;titanium?
The IUPAC name of di(quinolin-8-yl)azanide;titanium (CID 20827876) is di(quinolin-8-yl)azanide;titanium.
What is the SMILES notation for di(quinolin-8-yl)azanide;titanium?
The canonical SMILES for di(quinolin-8-yl)azanide;titanium is [Ti].c1cnc2c([N-]c3cccc4cccnc34)cccc2c1.
What is the InChIKey of di(quinolin-8-yl)azanide;titanium?
The InChIKey is VISNAOPVELMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N3.Ti/c1-5-13-7-3-11-19-17(13)15(9-1)21-16-10-2-6-14-8-4-12-20-18(14)16;/h1-12H;/q-1;.
What are the key properties of di(quinolin-8-yl)azanide;titanium?
di(quinolin-8-yl)azanide;titanium has a molecular weight of 318.18 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for di(quinolin-8-yl)azanide;titanium is sourced from PubChem (CID 20827876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).