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

C34H48Cl2HfP2 — CID 21096353

IUPACdi(butan-2-yl)-(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.CCC(C)P(c1cc2ccccc2[cH-]1)C(C)CC.[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;1-5-13(3)18(14(4)6-2)17-11-15-9-7-8-10-16(15)12-17;;;/h5-10,13-14H,11-12H2,1-4H3;7-14H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFPTWJNWRMJYIAC-UHFFFAOYSA-L
MW768.10 g/mol
LogP4.25
Rot. Bonds10

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

di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride (PubChem CID 21096353) has the molecular formula C34H48Cl2HfP2 and a molecular weight of 768.10 g/mol. Its IUPAC name is di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride.

Molecular Properties

Compound Namedi(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride
PubChem CID21096353
Molecular FormulaC34H48Cl2HfP2
Molecular Weight768.10 g/mol
Exact Mass768.21
IUPAC Namedi(butan-2-yl)-(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.CCC(C)P(c1cc2ccccc2[cH-]1)C(C)CC.[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;1-5-13(3)18(14(4)6-2)17-11-15-9-7-8-10-16(15)12-17;;;/h5-10,13-14H,11-12H2,1-4H3;7-14H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2
InChIKeyFPTWJNWRMJYIAC-UHFFFAOYSA-L
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
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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Frequently Asked Questions

What is the IUPAC name of di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride?
The IUPAC name of 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) is di(butan-2-yl)-(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 di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride?
The canonical SMILES for di(butan-2-yl)-(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.CCC(C)P(c1cc2ccccc2[cH-]1)C(C)CC.[Cl-].[Cl-].[Hf+4].
What is the InChIKey of di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride?
The InChIKey is FPTWJNWRMJYIAC-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;1-5-13(3)18(14(4)6-2)17-11-15-9-7-8-10-16(15)12-17;;;/h5-10,13-14H,11-12H2,1-4H3;7-14H,5-6H2,1-4H3;2*1H;/q2*-1;;;+4/p-2.
What are the key properties of di(butan-2-yl)-(1H-inden-1-id-2-yl)phosphane;hafnium(4+);1H-inden-1-id-2-yl-bis(2-methylpropyl)phosphane;dichloride?
di(butan-2-yl)-(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, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)-(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 21096353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).