1,4-diphenylbutylidenehafnium(2+)

C16H16Hf+2 — CID 158566211

IUPAC1,4-diphenylbutylidenehafnium(2+)
SMILES[Hf+2]=C(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16.Hf/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h1-6,9-12H,7-8,13H2;/q;+2
InChIKeyNCGZIYFIMLDUPB-UHFFFAOYSA-N
MW386.79 g/mol
LogP3.78
Rot. Bonds5

About 1,4-diphenylbutylidenehafnium(2+)

1,4-diphenylbutylidenehafnium(2+) (PubChem CID 158566211) has the molecular formula C16H16Hf+2 and a molecular weight of 386.79 g/mol. Its IUPAC name is 1,4-diphenylbutylidenehafnium(2+).

Molecular Properties

Compound Name1,4-diphenylbutylidenehafnium(2+)
PubChem CID158566211
Molecular FormulaC16H16Hf+2
Molecular Weight386.79 g/mol
Exact Mass388.07
IUPAC Name1,4-diphenylbutylidenehafnium(2+)
SMILES[Hf+2]=C(CCCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16.Hf/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h1-6,9-12H,7-8,13H2;/q;+2
InChIKeyNCGZIYFIMLDUPB-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.79
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-phenylbutylbenzene
CID 141301927
1,4-bis(3-phenylpropyl)benzene
CID 59467322
hafnium;4-phenylbutylbenzene
CID 175889972
methane;4-phenylbutylbenzene
CID 173386802
CID 159131095
CID 159131095
5-phenylpentan-2-one
CID 16701
4-phenylbutanoyl chloride
CID 11789865
4-phenyl-1-trimethylsilylbutan-1-one
CID 11138658
lithium 4-phenylbutanoate
CID 50923149
calcium bis(4-phenylbutanoate)
CID 11187721
(Z)-3-methoxy-2,6-diphenylhex-2-enenitrile
CID 129407853
4-(4-benzoylphenyl)-1-phenylbutan-1-one
CID 15737707

Frequently Asked Questions

What is the IUPAC name of 1,4-diphenylbutylidenehafnium(2+)?
The IUPAC name of 1,4-diphenylbutylidenehafnium(2+) (CID 158566211) is 1,4-diphenylbutylidenehafnium(2+).
What is the SMILES notation for 1,4-diphenylbutylidenehafnium(2+)?
The canonical SMILES for 1,4-diphenylbutylidenehafnium(2+) is [Hf+2]=C(CCCc1ccccc1)c1ccccc1.
What is the InChIKey of 1,4-diphenylbutylidenehafnium(2+)?
The InChIKey is NCGZIYFIMLDUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16.Hf/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16;/h1-6,9-12H,7-8,13H2;/q;+2.
What are the key properties of 1,4-diphenylbutylidenehafnium(2+)?
1,4-diphenylbutylidenehafnium(2+) has a molecular weight of 386.79 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diphenylbutylidenehafnium(2+) is sourced from PubChem (CID 158566211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).