dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)

C26H38Cl2N4Ti-2 — CID 10994984

IUPACdichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)
SMILESCC(C)/N=c1\cccccc1[N-]C(C)C.CC(C)/N=c1\cccccc1[N-]C(C)C.Cl[Ti]Cl
InChIInChI=1S/2C13H19N2.2ClH.Ti/c2*1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;;;/h2*5-11H,1-4H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyIIPZFXBHSTWWEB-UHFFFAOYSA-L
MW525.39 g/mol
LogP8.20
Rot. Bonds6

About dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)

dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide) (PubChem CID 10994984) has the molecular formula C26H38Cl2N4Ti-2 and a molecular weight of 525.39 g/mol. Its IUPAC name is dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide).

Molecular Properties

Compound Namedichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)
PubChem CID10994984
Molecular FormulaC26H38Cl2N4Ti-2
Molecular Weight525.39 g/mol
Exact Mass524.20
IUPAC Namedichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)
SMILESCC(C)/N=c1\cccccc1[N-]C(C)C.CC(C)/N=c1\cccccc1[N-]C(C)C.Cl[Ti]Cl
InChIInChI=1S/2C13H19N2.2ClH.Ti/c2*1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;;;/h2*5-11H,1-4H3;2*1H;/q2*-1;;;+2/p-2
InChIKeyIIPZFXBHSTWWEB-UHFFFAOYSA-L
XLogP8.20
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.39
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[N-isopropyl-2-(isopropylamino)troponiminato]-methylzinc
CID 11543752
Lithium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 135046310
Benzene;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
CID 10939987
Carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
CID 11143219
Potassium propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 15787578
Benzene;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
CID 15971497
Carbanide;bis(methyl-(7-methyliminocyclohepta-1,3,5-trien-1-yl)azanide);titanium(4+)
CID 15973624
ZINC;carbanide;propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 15976448
CID 16687987
CID 16687987
CID 16687988
CID 16687988
(7-Propan-2-yliminocyclohepta-1,3,5-trien-1-yl)-[3-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanidylpropyl]azanide
CID 101025444
Propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide
CID 101031528

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)?
The IUPAC name of dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide) (CID 10994984) is dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide).
What is the SMILES notation for dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)?
The canonical SMILES for dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide) is CC(C)/N=c1\cccccc1[N-]C(C)C.CC(C)/N=c1\cccccc1[N-]C(C)C.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)?
The InChIKey is IIPZFXBHSTWWEB-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H19N2.2ClH.Ti/c2*1-10(2)14-12-8-6-5-7-9-13(12)15-11(3)4;;;/h2*5-11H,1-4H3;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide)?
dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide) has a molecular weight of 525.39 g/mol, XLogP of 8.20, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;bis(propan-2-yl-(7-propan-2-yliminocyclohepta-1,3,5-trien-1-yl)azanide) is sourced from PubChem (CID 10994984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).