dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride

C30H35Cl2HfP — CID 21095912

IUPACdicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
SMILES[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C21H28P.C9H7.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-2-5-9-7-3-6-8(9)4-1;;;/h7-10,15-16,19-20H,1-6,11-14H2;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyYGDXWUSSFDFUKW-UHFFFAOYSA-L
MW675.98 g/mol
LogP2.90
Rot. Bonds3

About dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride

dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride (PubChem CID 21095912) has the molecular formula C30H35Cl2HfP and a molecular weight of 675.98 g/mol. Its IUPAC name is dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride.

Molecular Properties

Compound Namedicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
PubChem CID21095912
Molecular FormulaC30H35Cl2HfP
Molecular Weight675.98 g/mol
Exact Mass676.13
IUPAC Namedicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
SMILES[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1.c1ccc2[cH-]ccc2c1
InChIInChI=1S/C21H28P.C9H7.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-2-5-9-7-3-6-8(9)4-1;;;/h7-10,15-16,19-20H,1-6,11-14H2;1-7H;2*1H;/q2*-1;;;+4/p-2
InChIKeyYGDXWUSSFDFUKW-UHFFFAOYSA-L
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.98
LogP ≤ 52.90
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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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The IUPAC name of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride (CID 21095912) is dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride.
What is the SMILES notation for dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The canonical SMILES for dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride is [Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1.c1ccc2[cH-]ccc2c1.
What is the InChIKey of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
The InChIKey is YGDXWUSSFDFUKW-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H28P.C9H7.2ClH.Hf/c1-3-11-19(12-4-1)22(20-13-5-2-6-14-20)21-15-17-9-7-8-10-18(17)16-21;1-2-5-9-7-3-6-8(9)4-1;;;/h7-10,15-16,19-20H,1-6,11-14H2;1-7H;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride?
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride has a molecular weight of 675.98 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride is sourced from PubChem (CID 21095912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).