hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride

C40H32Cl2HfP2 — CID 87862825

IUPAChafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride
SMILES[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1.c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1
InChIInChI=1S/2C20H16P.2ClH.Hf/c2*1-2-7-15-13-16(12-14(15)6-1)21-19-10-4-3-8-17(19)18-9-5-11-20(18)21;;;/h2*1-4,6-8,10,12-13H,5,9,11H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyGKQASBMOSHOSFN-UHFFFAOYSA-L
MW824.04 g/mol
LogP6.36
Rot. Bonds2

About hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride

hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride (PubChem CID 87862825) has the molecular formula C40H32Cl2HfP2 and a molecular weight of 824.04 g/mol. Its IUPAC name is hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride.

Molecular Properties

Compound Namehafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride
PubChem CID87862825
Molecular FormulaC40H32Cl2HfP2
Molecular Weight824.04 g/mol
Exact Mass824.08
IUPAC Namehafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride
SMILES[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1.c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1
InChIInChI=1S/2C20H16P.2ClH.Hf/c2*1-2-7-15-13-16(12-14(15)6-1)21-19-10-4-3-8-17(19)18-9-5-11-20(18)21;;;/h2*1-4,6-8,10,12-13H,5,9,11H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyGKQASBMOSHOSFN-UHFFFAOYSA-L
XLogP6.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.04
LogP ≤ 56.36
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

3-[5-(1,2-diphenyl-5,6-dihydro-4H-cyclopenta[c]phosphol-3-yl)-1-phenylphosphol-2-yl]-1,2-diphenyl-5,6-dihydro-4H-cyclopenta[c]phosphole
CID 101861487
bis(1-(1H-inden-1-id-2-yl)phosphindole);titanium(4+);dichloride
CID 87862668
hafnium(4+);bis(1-(1H-inden-1-id-2-yl)phosphindole);dichloride
CID 87862764
bis(5-(1H-inden-1-id-2-yl)benzo[b]phosphindole);zirconium(4+);dichloride
CID 87862767
bis(5-(1H-inden-1-id-2-yl)benzo[b]phosphindole);titanium(4+);dichloride
CID 87862783
bis(2-(1H-inden-1-id-2-yl)isophosphindole);titanium(4+);dichloride
CID 87862992
hafnium(4+);bis(5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole);dichloride
CID 87863000
hafnium(4+);bis(5-(1H-inden-1-id-2-yl)benzo[b]phosphindole);dichloride
CID 87863025
bis(5-(1H-inden-1-id-2-yl)-6,7,8,9-tetrahydrobenzo[b]phosphindole);zirconium(4+);dichloride
CID 87863156
cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride
CID 87863170
bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);titanium(4+);dichloride
CID 87863423
bis(1-(1H-inden-1-id-2-yl)phosphindole);zirconium(4+);dichloride
CID 87863427

Frequently Asked Questions

What is the IUPAC name of hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride?
The IUPAC name of hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride (CID 87862825) is hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride.
What is the SMILES notation for hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride?
The canonical SMILES for hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride is [Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1.c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1.
What is the InChIKey of hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride?
The InChIKey is GKQASBMOSHOSFN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C20H16P.2ClH.Hf/c2*1-2-7-15-13-16(12-14(15)6-1)21-19-10-4-3-8-17(19)18-9-5-11-20(18)21;;;/h2*1-4,6-8,10,12-13H,5,9,11H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride?
hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride has a molecular weight of 824.04 g/mol, XLogP of 6.36, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for hafnium(4+);bis(4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole);dichloride is sourced from PubChem (CID 87862825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).