1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride

C19H19Cl2NTi-2 — CID 23016187

IUPAC1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride
SMILESC[CH-]c1ccccc1C1=CC=CC1.[Cl-].[Cl-].[NH-]c1ccccc1.[Ti+2]
InChIInChI=1S/C13H13.C6H6N.2ClH.Ti/c1-2-11-7-5-6-10-13(11)12-8-3-4-9-12;7-6-4-2-1-3-5-6;;;/h2-8,10H,9H2,1H3;1-5,7H;2*1H;/q2*-1;;;+2/p-2
InChIKeyAXYFLNXLLDHVJT-UHFFFAOYSA-L
MW380.14 g/mol
LogP-0.02
Rot. Bonds2

About 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride

1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride (PubChem CID 23016187) has the molecular formula C19H19Cl2NTi-2 and a molecular weight of 380.14 g/mol. Its IUPAC name is 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride.

Molecular Properties

Compound Name1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride
PubChem CID23016187
Molecular FormulaC19H19Cl2NTi-2
Molecular Weight380.14 g/mol
Exact Mass379.04
IUPAC Name1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride
SMILESC[CH-]c1ccccc1C1=CC=CC1.[Cl-].[Cl-].[NH-]c1ccccc1.[Ti+2]
InChIInChI=1S/C13H13.C6H6N.2ClH.Ti/c1-2-11-7-5-6-10-13(11)12-8-3-4-9-12;7-6-4-2-1-3-5-6;;;/h2-8,10H,9H2,1H3;1-5,7H;2*1H;/q2*-1;;;+2/p-2
InChIKeyAXYFLNXLLDHVJT-UHFFFAOYSA-L
XLogP-0.02
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.14
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride?
The IUPAC name of 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride (CID 23016187) is 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride.
What is the SMILES notation for 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride?
The canonical SMILES for 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride is C[CH-]c1ccccc1C1=CC=CC1.[Cl-].[Cl-].[NH-]c1ccccc1.[Ti+2].
What is the InChIKey of 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride?
The InChIKey is AXYFLNXLLDHVJT-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H13.C6H6N.2ClH.Ti/c1-2-11-7-5-6-10-13(11)12-8-3-4-9-12;7-6-4-2-1-3-5-6;;;/h2-8,10H,9H2,1H3;1-5,7H;2*1H;/q2*-1;;;+2/p-2.
What are the key properties of 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride?
1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride has a molecular weight of 380.14 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,3-dien-1-yl-2-ethylbenzene;phenylazanide;titanium(2+);dichloride is sourced from PubChem (CID 23016187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).