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

C25H21Cl2HfP — CID 87863170

IUPACcyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1
InChIInChI=1S/C20H16P.C5H5.2ClH.Hf/c1-2-7-15-13-16(12-14(15)6-1)21-19-10-4-3-8-17(19)18-9-5-11-20(18)21;1-2-4-5-3-1;;;/h1-4,6-8,10,12-13H,5,9,11H2;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyWWDGGVFNEYDNFD-UHFFFAOYSA-L
MW601.81 g/mol
LogP1.49
Rot. Bonds1

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

cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride (PubChem CID 87863170) has the molecular formula C25H21Cl2HfP and a molecular weight of 601.81 g/mol. Its IUPAC name is cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride
PubChem CID87863170
Molecular FormulaC25H21Cl2HfP
Molecular Weight601.81 g/mol
Exact Mass602.02
IUPAC Namecyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride
SMILES[C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1
InChIInChI=1S/C20H16P.C5H5.2ClH.Hf/c1-2-7-15-13-16(12-14(15)6-1)21-19-10-4-3-8-17(19)18-9-5-11-20(18)21;1-2-4-5-3-1;;;/h1-4,6-8,10,12-13H,5,9,11H2;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2
InChIKeyWWDGGVFNEYDNFD-UHFFFAOYSA-L
XLogP1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.81
LogP ≤ 51.49
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 cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride?
The IUPAC name of cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride (CID 87863170) is cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride.
What is the SMILES notation for cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride?
The canonical SMILES for cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride is [C-]1=CC=CC1.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(-p3c4c(c5ccccc53)CCC4)cc2c1.
What is the InChIKey of cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride?
The InChIKey is WWDGGVFNEYDNFD-UHFFFAOYSA-L. The full InChI is InChI=1S/C20H16P.C5H5.2ClH.Hf/c1-2-7-15-13-16(12-14(15)6-1)21-19-10-4-3-8-17(19)18-9-5-11-20(18)21;1-2-4-5-3-1;;;/h1-4,6-8,10,12-13H,5,9,11H2;1-3H,4H2;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride?
cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride has a molecular weight of 601.81 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;hafnium(4+);4-(1H-inden-1-id-2-yl)-2,3-dihydro-1H-cyclopenta[b]phosphindole;dichloride is sourced from PubChem (CID 87863170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).