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

C36H48Cl2HfP2 — CID 21095993

IUPACdicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride
SMILESCC(C)P(c1cc2ccccc2[cH-]1)C(C)C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C21H28P.C15H20P.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;1-11(2)16(12(3)4)15-9-13-7-5-6-8-14(13)10-15;;;/h7-10,15-16,19-20H,1-6,11-14H2;5-12H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyGEDQWMOGMBVVMB-UHFFFAOYSA-L
MW792.12 g/mol
LogP4.82
Rot. Bonds6

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

dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride (PubChem CID 21095993) has the molecular formula C36H48Cl2HfP2 and a molecular weight of 792.12 g/mol. Its IUPAC name is dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride.

Molecular Properties

Compound Namedicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride
PubChem CID21095993
Molecular FormulaC36H48Cl2HfP2
Molecular Weight792.12 g/mol
Exact Mass792.21
IUPAC Namedicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride
SMILESCC(C)P(c1cc2ccccc2[cH-]1)C(C)C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1
InChIInChI=1S/C21H28P.C15H20P.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;1-11(2)16(12(3)4)15-9-13-7-5-6-8-14(13)10-15;;;/h7-10,15-16,19-20H,1-6,11-14H2;5-12H,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyGEDQWMOGMBVVMB-UHFFFAOYSA-L
XLogP4.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500792.12
LogP ≤ 54.82
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-id-2-yl-di(propan-2-yl)phosphane;dichloride?
The IUPAC name of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride (CID 21095993) is dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride.
What is the SMILES notation for dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride?
The canonical SMILES for dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride is CC(C)P(c1cc2ccccc2[cH-]1)C(C)C.[Cl-].[Cl-].[Hf+4].c1ccc2[cH-]c(P(C3CCCCC3)C3CCCCC3)cc2c1.
What is the InChIKey of dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride?
The InChIKey is GEDQWMOGMBVVMB-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H28P.C15H20P.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;1-11(2)16(12(3)4)15-9-13-7-5-6-8-14(13)10-15;;;/h7-10,15-16,19-20H,1-6,11-14H2;5-12H,1-4H3;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-id-2-yl-di(propan-2-yl)phosphane;dichloride?
dicyclohexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-di(propan-2-yl)phosphane;dichloride has a molecular weight of 792.12 g/mol, XLogP of 4.82, 6 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-id-2-yl-di(propan-2-yl)phosphane;dichloride is sourced from PubChem (CID 21095993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).