hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride

C26H20Cl2HfP2 — CID 87862693

IUPAChafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride
SMILES[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3cccc3)cc2c1.c1ccc2[cH-]c(-p3cccc3)cc2c1
InChIInChI=1S/2C13H10P.2ClH.Hf/c2*1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;;;/h2*1-10H;2*1H;/q2*-1;;;+4/p-2
InChIKeyNPRDEZGWPSEPKM-UHFFFAOYSA-L
MW643.79 g/mol
LogP3.07
Rot. Bonds2

About hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride

hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride (PubChem CID 87862693) has the molecular formula C26H20Cl2HfP2 and a molecular weight of 643.79 g/mol. Its IUPAC name is hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride
PubChem CID87862693
Molecular FormulaC26H20Cl2HfP2
Molecular Weight643.79 g/mol
Exact Mass643.99
IUPAC Namehafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride
SMILES[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3cccc3)cc2c1.c1ccc2[cH-]c(-p3cccc3)cc2c1
InChIInChI=1S/2C13H10P.2ClH.Hf/c2*1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;;;/h2*1-10H;2*1H;/q2*-1;;;+4/p-2
InChIKeyNPRDEZGWPSEPKM-UHFFFAOYSA-L
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500643.79
LogP ≤ 53.07
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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Related Compounds

1,5-dimethylcyclopenta-1,3-diene;1-(1H-inden-1-id-2-yl)phosphole;zirconium(4+);dichloride
CID 158864044
CID 157447863
CID 157447863
1,5-dimethylcyclopenta-1,3-diene;hafnium(4+);1-(1H-inden-1-id-2-yl)phosphindole;dichloride
CID 161325964
hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride
CID 87862825
hafnium(4+);bis(2-propan-2-yl-1H-inden-1-ide);dichloride
CID 161453057
cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphol-1-ium;titanium(4+);dichloride
CID 87863214
cyclopenta-1,3-diene;2-(1H-inden-1-id-2-yl)azaphosphole;titanium(4+);dichloride
CID 87863211
bis(2-bromo-1H-inden-1-ide);dimethylsilylidenezirconium(2+);dichloride
CID 160887179
ethane;2-methyl-1H-inden-1-ide;zirconium(4+);dichloride
CID 157150414
magnesium;carbanide;2-phenyl-1H-inden-1-ide
CID 141374926
chromium(2+);bis(2-methyl-1H-inden-1-ide)
CID 139887885
2-methyl-1H-inden-1-ide;praseodymium
CID 150206996

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride?
The IUPAC name of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride (CID 87862693) is hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride.
What is the SMILES notation for hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride?
The canonical SMILES for hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride is [Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3cccc3)cc2c1.c1ccc2[cH-]c(-p3cccc3)cc2c1.
What is the InChIKey of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride?
The InChIKey is NPRDEZGWPSEPKM-UHFFFAOYSA-L. The full InChI is InChI=1S/2C13H10P.2ClH.Hf/c2*1-2-6-12-10-13(9-11(12)5-1)14-7-3-4-8-14;;;/h2*1-10H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride?
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride has a molecular weight of 643.79 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphole);dichloride is sourced from PubChem (CID 87862693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).