bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride

C34H24Cl2P2Ti — CID 87862992

IUPACbis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride
SMILES[Cl-].[Cl-].[Ti+4].c1ccc2cp(-c3cc4ccccc4[cH-]3)cc2c1.c1ccc2cp(-c3cc4ccccc4[cH-]3)cc2c1
InChIInChI=1S/2C17H12P.2ClH.Ti/c2*1-2-6-14-10-17(9-13(14)5-1)18-11-15-7-3-4-8-16(15)12-18;;;/h2*1-12H;2*1H;/q2*-1;;;+4/p-2
InChIKeyVZZLIVWJJUOENV-UHFFFAOYSA-L
MW613.29 g/mol
LogP5.38
Rot. Bonds2

About bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride

bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride (PubChem CID 87862992) has the molecular formula C34H24Cl2P2Ti and a molecular weight of 613.29 g/mol. Its IUPAC name is bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride.

Molecular Properties

Compound Namebis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride
PubChem CID87862992
Molecular FormulaC34H24Cl2P2Ti
Molecular Weight613.29 g/mol
Exact Mass612.02
IUPAC Namebis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride
SMILES[Cl-].[Cl-].[Ti+4].c1ccc2cp(-c3cc4ccccc4[cH-]3)cc2c1.c1ccc2cp(-c3cc4ccccc4[cH-]3)cc2c1
InChIInChI=1S/2C17H12P.2ClH.Ti/c2*1-2-6-14-10-17(9-13(14)5-1)18-11-15-7-3-4-8-16(15)12-18;;;/h2*1-12H;2*1H;/q2*-1;;;+4/p-2
InChIKeyVZZLIVWJJUOENV-UHFFFAOYSA-L
XLogP5.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.29
LogP ≤ 55.38
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 bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride?
The IUPAC name of bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride (CID 87862992) is bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride.
What is the SMILES notation for bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride?
The canonical SMILES for bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride is [Cl-].[Cl-].[Ti+4].c1ccc2cp(-c3cc4ccccc4[cH-]3)cc2c1.c1ccc2cp(-c3cc4ccccc4[cH-]3)cc2c1.
What is the InChIKey of bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride?
The InChIKey is VZZLIVWJJUOENV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H12P.2ClH.Ti/c2*1-2-6-14-10-17(9-13(14)5-1)18-11-15-7-3-4-8-16(15)12-18;;;/h2*1-12H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride?
bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride has a molecular weight of 613.29 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride is sourced from PubChem (CID 87862992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).