(tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)

C12H27Cl3NPTi — CID 140662685

IUPAC(tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)
SMILESCC(C)(C)P(=[N-])(C(C)(C)C)C(C)(C)C.Cl[Ti+](Cl)Cl
InChIInChI=1S/C12H27NP.3ClH.Ti/c1-10(2,3)14(13,11(4,5)6)12(7,8)9;;;;/h1-9H3;3*1H;/q-1;;;;+4/p-3
InChIKeyGLHZOINIGBMPRH-UHFFFAOYSA-K
MW370.56 g/mol
LogP7.22
Rot. Bonds

About (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)

(tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+) (PubChem CID 140662685) has the molecular formula C12H27Cl3NPTi and a molecular weight of 370.56 g/mol. Its IUPAC name is (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+).

Molecular Properties

Compound Name(tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)
PubChem CID140662685
Molecular FormulaC12H27Cl3NPTi
Molecular Weight370.56 g/mol
Exact Mass369.04
IUPAC Name(tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)
SMILESCC(C)(C)P(=[N-])(C(C)(C)C)C(C)(C)C.Cl[Ti+](Cl)Cl
InChIInChI=1S/C12H27NP.3ClH.Ti/c1-10(2,3)14(13,11(4,5)6)12(7,8)9;;;;/h1-9H3;3*1H;/q-1;;;;+4/p-3
InChIKeyGLHZOINIGBMPRH-UHFFFAOYSA-K
XLogP7.22
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.56
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)?
The IUPAC name of (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+) (CID 140662685) is (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+).
What is the SMILES notation for (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)?
The canonical SMILES for (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+) is CC(C)(C)P(=[N-])(C(C)(C)C)C(C)(C)C.Cl[Ti+](Cl)Cl.
What is the InChIKey of (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)?
The InChIKey is GLHZOINIGBMPRH-UHFFFAOYSA-K. The full InChI is InChI=1S/C12H27NP.3ClH.Ti/c1-10(2,3)14(13,11(4,5)6)12(7,8)9;;;;/h1-9H3;3*1H;/q-1;;;;+4/p-3.
What are the key properties of (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+)?
(tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+) has a molecular weight of 370.56 g/mol, XLogP of 7.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (tritert-butyl-λ5-phosphanylidene)azanide;trichlorotitanium(1+) is sourced from PubChem (CID 140662685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).