pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)

C40H60N5Ta — CID 175931567

IUPACpentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)
SMILESCC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.[Ta+5]
InChIInChI=1S/5C8H12N.Ta/c5*1-2-9-7-8-5-3-4-6-8;/h5*3-6,8H,2,7H2,1H3;/q5*-1;+5
InChIKeyFFDWWBWCTRYUPP-UHFFFAOYSA-N
MW791.90 g/mol
LogP10.61
Rot. Bonds15

About pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)

pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+) (PubChem CID 175931567) has the molecular formula C40H60N5Ta and a molecular weight of 791.90 g/mol. Its IUPAC name is pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+).

Molecular Properties

Compound Namepentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)
PubChem CID175931567
Molecular FormulaC40H60N5Ta
Molecular Weight791.90 g/mol
Exact Mass791.43
IUPAC Namepentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)
SMILESCC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.[Ta+5]
InChIInChI=1S/5C8H12N.Ta/c5*1-2-9-7-8-5-3-4-6-8;/h5*3-6,8H,2,7H2,1H3;/q5*-1;+5
InChIKeyFFDWWBWCTRYUPP-UHFFFAOYSA-N
XLogP10.61
TPSA70.50 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds15
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500791.90
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-cyclopenta-2,4-dien-1-ylpropan-1-ol;bis(diethylazanide);hafnium
CID 158586112
3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;bis(diethylazanide);zirconium(3+)
CID 159962344
5-ethylcyclopenta-1,3-diene;hafnium
CID 174248869
potassium;5-ethylcyclopenta-1,3-diene;hydride
CID 174542607
3-cyclopenta-2,4-dien-1-ylpropyl(methyl)azanide;ethyl(methyl)azanide;zirconium(3+)
CID 159499916
diethylazanide;ethyliminotantalum
CID 58942953
gallium tris(diethylazanide)
CID 134068145
pentadecakis(diethylazanide);tris(niobium(5+))
CID 139131971
diethylazanide;nickel
CID 154094168
tetrakis(diethylazanide);tantalum
CID 18421483
5-undecylcyclopenta-1,3-diene
CID 141280590
5-(2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 15913732

Frequently Asked Questions

What is the IUPAC name of pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)?
The IUPAC name of pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+) (CID 175931567) is pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+).
What is the SMILES notation for pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)?
The canonical SMILES for pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+) is CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.CC[N-]CC1C=CC=C1.[Ta+5].
What is the InChIKey of pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)?
The InChIKey is FFDWWBWCTRYUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/5C8H12N.Ta/c5*1-2-9-7-8-5-3-4-6-8;/h5*3-6,8H,2,7H2,1H3;/q5*-1;+5.
What are the key properties of pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+)?
pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+) has a molecular weight of 791.90 g/mol, XLogP of 10.61, 15 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(cyclopenta-2,4-dien-1-ylmethyl(ethyl)azanide);tantalum(5+) is sourced from PubChem (CID 175931567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).