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

C34H24Cl2HfP2 — CID 87862764

IUPAChafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride
SMILES[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1.c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1
InChIInChI=1S/2C17H12P.2ClH.Hf/c2*1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;;;/h2*1-12H;2*1H;/q2*-1;;;+4/p-2
InChIKeyPBCZBIICTUENTI-UHFFFAOYSA-L
MW743.91 g/mol
LogP5.38
Rot. Bonds2

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

hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride (PubChem CID 87862764) has the molecular formula C34H24Cl2HfP2 and a molecular weight of 743.91 g/mol. Its IUPAC name is hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride
PubChem CID87862764
Molecular FormulaC34H24Cl2HfP2
Molecular Weight743.91 g/mol
Exact Mass744.02
IUPAC Namehafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride
SMILES[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1.c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1
InChIInChI=1S/2C17H12P.2ClH.Hf/c2*1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;;;/h2*1-12H;2*1H;/q2*-1;;;+4/p-2
InChIKeyPBCZBIICTUENTI-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 ≤ 500743.91
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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Related Compounds

5-(2-Benzo[b]phosphindol-5-ylethyl)benzo[b]phosphindole
CID 10960210
5-(3-Benzo[b]phosphindol-5-ylpropyl)benzo[b]phosphindole
CID 11732291
5-(6-Benzo[b]phosphindol-5-ylhexyl)benzo[b]phosphindole
CID 85787874
2,3,3a,7a-tetrahydro-1H-inden-3-id-2-yl-(1H-inden-1-id-2-yl)-phenylphosphane;hafnium(4+);dichloride
CID 21095012
cyclohexyl-bis(1H-inden-1-id-2-yl)phosphane;zirconium(4+);dichloride
CID 21095204
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;1,9-dihydrofluoren-1-ide;hafnium(4+);dichloride
CID 21095909
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
CID 21095912
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);dichloride
CID 21095924
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
CID 21095955
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride
CID 21095993
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;titanium(4+);dichloride
CID 21095995
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;zirconium(4+);dichloride
CID 21095996

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride?
The IUPAC name of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride (CID 87862764) is hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride.
What is the SMILES notation for hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride?
The canonical SMILES for hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride is [Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1.c1ccc2[cH-]c(-p3ccc4ccccc43)cc2c1.
What is the InChIKey of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride?
The InChIKey is PBCZBIICTUENTI-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H12P.2ClH.Hf/c2*1-2-7-15-12-16(11-14(15)6-1)18-10-9-13-5-3-4-8-17(13)18;;;/h2*1-12H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride?
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride has a molecular weight of 743.91 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 hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride is sourced from PubChem (CID 87862764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).