tetrakis(di(cyclododecyl)azanide);titanium(4+)

C96H184N4Ti — CID 141036940

IUPACtetrakis(di(cyclododecyl)azanide);titanium(4+)
SMILESC1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.[Ti+4]
InChIInChI=1S/4C24H46N.Ti/c4*1-3-7-11-15-19-23(20-16-12-8-4-1)25-24-21-17-13-9-5-2-6-10-14-18-22-24;/h4*23-24H,1-22H2;/q4*-1;+4
InChIKeyKNKYMGUNNYJDQA-UHFFFAOYSA-N
MW1442.42 g/mol
LogP34.82
Rot. Bonds8

About tetrakis(di(cyclododecyl)azanide);titanium(4+)

tetrakis(di(cyclododecyl)azanide);titanium(4+) (PubChem CID 141036940) has the molecular formula C96H184N4Ti and a molecular weight of 1442.42 g/mol. Its IUPAC name is tetrakis(di(cyclododecyl)azanide);titanium(4+).

Molecular Properties

Compound Nametetrakis(di(cyclododecyl)azanide);titanium(4+)
PubChem CID141036940
Molecular FormulaC96H184N4Ti
Molecular Weight1442.42 g/mol
Exact Mass1441.40
IUPAC Nametetrakis(di(cyclododecyl)azanide);titanium(4+)
SMILESC1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.[Ti+4]
InChIInChI=1S/4C24H46N.Ti/c4*1-3-7-11-15-19-23(20-16-12-8-4-1)25-24-21-17-13-9-5-2-6-10-14-18-22-24;/h4*23-24H,1-22H2;/q4*-1;+4
InChIKeyKNKYMGUNNYJDQA-UHFFFAOYSA-N
XLogP34.82
TPSA56.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms101
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001442.42
LogP ≤ 534.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

potassium dicyclohexylazanide
CID 12552073
CID 11011373
CID 11011373
lithium;cerium(3+);tetrakis(dicyclohexylazanide);oxolane
CID 139184074
cyclononylcycloicosane
CID 123187062
(4aR)-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 58427678
cyclohexylcycloheptane
CID 524589
lithium cyclohexyl(methyl)azanide
CID 18737430
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
azane;cyclohexylcyclohexane
CID 66583255
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414

Frequently Asked Questions

What is the IUPAC name of tetrakis(di(cyclododecyl)azanide);titanium(4+)?
The IUPAC name of tetrakis(di(cyclododecyl)azanide);titanium(4+) (CID 141036940) is tetrakis(di(cyclododecyl)azanide);titanium(4+).
What is the SMILES notation for tetrakis(di(cyclododecyl)azanide);titanium(4+)?
The canonical SMILES for tetrakis(di(cyclododecyl)azanide);titanium(4+) is C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.C1CCCCCC([N-]C2CCCCCCCCCCC2)CCCCC1.[Ti+4].
What is the InChIKey of tetrakis(di(cyclododecyl)azanide);titanium(4+)?
The InChIKey is KNKYMGUNNYJDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C24H46N.Ti/c4*1-3-7-11-15-19-23(20-16-12-8-4-1)25-24-21-17-13-9-5-2-6-10-14-18-22-24;/h4*23-24H,1-22H2;/q4*-1;+4.
What are the key properties of tetrakis(di(cyclododecyl)azanide);titanium(4+)?
tetrakis(di(cyclododecyl)azanide);titanium(4+) has a molecular weight of 1442.42 g/mol, XLogP of 34.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(di(cyclododecyl)azanide);titanium(4+) is sourced from PubChem (CID 141036940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).