1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride

C24H21Cl2HfP — CID 21096108

IUPAC1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride
SMILESCP(C)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C11H12P.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-12(2)11-7-9-5-3-4-6-10(9)8-11;;;/h1-5,7-8H,9H2;3-8H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyPRMUENPBCIDGRG-UHFFFAOYSA-L
MW589.80 g/mol
LogP-0.01
Rot. Bonds1

About 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride

1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride (PubChem CID 21096108) has the molecular formula C24H21Cl2HfP and a molecular weight of 589.80 g/mol. Its IUPAC name is 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride.

Molecular Properties

Compound Name1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride
PubChem CID21096108
Molecular FormulaC24H21Cl2HfP
Molecular Weight589.80 g/mol
Exact Mass590.02
IUPAC Name1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride
SMILESCP(C)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C13H9.C11H12P.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-12(2)11-7-9-5-3-4-6-10(9)8-11;;;/h1-5,7-8H,9H2;3-8H,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyPRMUENPBCIDGRG-UHFFFAOYSA-L
XLogP-0.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.80
LogP ≤ 5-0.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride?
The IUPAC name of 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride (CID 21096108) is 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride.
What is the SMILES notation for 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride?
The canonical SMILES for 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride is CP(C)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].[c-]1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride?
The InChIKey is PRMUENPBCIDGRG-UHFFFAOYSA-L. The full InChI is InChI=1S/C13H9.C11H12P.2ClH.Hf/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;1-12(2)11-7-9-5-3-4-6-10(9)8-11;;;/h1-5,7-8H,9H2;3-8H,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride?
1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride has a molecular weight of 589.80 g/mol, XLogP of -0.01, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,9-dihydrofluoren-1-ide;hafnium(4+);1H-inden-1-id-2-yl(dimethyl)phosphane;dichloride is sourced from PubChem (CID 21096108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).