dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride

C34H48Cl2HfP2 — CID 21096158

IUPACdibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
SMILESCC(C)CP(CC(C)C)c1cc2ccccc2[cH-]1.CCCCP(CCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C17H24P.2ClH.Hf/c1-13(2)11-18(12-14(3)4)17-9-15-7-5-6-8-16(15)10-17;1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17;;;/h5-10,13-14H,11-12H2,1-4H3;7-10,13-14H,3-6,11-12H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyBBHVOBQIWCUUCR-UHFFFAOYSA-L
MW768.10 g/mol
LogP4.25
Rot. Bonds12

About dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride

dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride (PubChem CID 21096158) has the molecular formula C34H48Cl2HfP2 and a molecular weight of 768.10 g/mol. Its IUPAC name is dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride.

Molecular Properties

Compound Namedibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
PubChem CID21096158
Molecular FormulaC34H48Cl2HfP2
Molecular Weight768.10 g/mol
Exact Mass768.21
IUPAC Namedibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
SMILESCC(C)CP(CC(C)C)c1cc2ccccc2[cH-]1.CCCCP(CCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4]
InChIInChI=1S/2C17H24P.2ClH.Hf/c1-13(2)11-18(12-14(3)4)17-9-15-7-5-6-8-16(15)10-17;1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17;;;/h5-10,13-14H,11-12H2,1-4H3;7-10,13-14H,3-6,11-12H2,1-2H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyBBHVOBQIWCUUCR-UHFFFAOYSA-L
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500768.10
LogP ≤ 54.25
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

bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);titanium(4+);dichloride
CID 87828810
bis(dibutyl(1H-inden-1-id-2-yl)phosphane);titanium(2+)
CID 21096598
di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
CID 21096353
bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(1H-inden-1-id-2-yl(dimethyl)phosphane);bis(zirconium(2+));dichloride
CID 21096050
bis(ditert-butyl(1H-inden-1-id-2-yl)phosphane);bis(1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane);bis(zirconium(2+));dichloride
CID 21095965
dihexyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87829716
2-butyl-3-methylcyclopenta-1,3-diene;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
CID 87828168
di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;dihexyl(1H-inden-1-id-2-yl)phosphane;titanium(4+);dichloride
CID 87828912
dihexyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-ide;dichloride
CID 21095943
bis(dihexyl(1H-inden-1-id-2-yl)phosphane);bis(2-methyl-1H-inden-1-ide);bis(zirconium(2+));dichloride
CID 21095933
bis(1H-inden-1-id-2-yl(dipropyl)phosphane);zirconium(4+);difluoride
CID 87829356
ditert-butyl(1H-inden-1-id-2-yl)phosphane;1H-inden-1-id-2-yl(dipropyl)phosphane;zirconium(4+);dichloride
CID 87830275

Frequently Asked Questions

What is the IUPAC name of dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride?
The IUPAC name of dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride (CID 21096158) is dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride.
What is the SMILES notation for dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride?
The canonical SMILES for dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride is CC(C)CP(CC(C)C)c1cc2ccccc2[cH-]1.CCCCP(CCCC)c1cc2ccccc2[cH-]1.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride?
The InChIKey is BBHVOBQIWCUUCR-UHFFFAOYSA-L. The full InChI is InChI=1S/2C17H24P.2ClH.Hf/c1-13(2)11-18(12-14(3)4)17-9-15-7-5-6-8-16(15)10-17;1-3-5-11-18(12-6-4-2)17-13-15-9-7-8-10-16(15)14-17;;;/h5-10,13-14H,11-12H2,1-4H3;7-10,13-14H,3-6,11-12H2,1-2H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride?
dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride has a molecular weight of 768.10 g/mol, XLogP of 4.25, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride is sourced from PubChem (CID 21096158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).