CID 11039200

C28H43N2Ta-2 — CID 11039200

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1N=[Ta].C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]CCCC(C)=[N-]
InChIInChI=1S/C12H17N.C10H15.C6H11N.Ta/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-7(2)9(4)10(5)8(6)3;1-3-4-5-6(2)7;/h5-9H,1-4H3;1-5H3;1,3-5H2,2H3;/q;;-2;
InChIKeyUJBRLXPLUSIEJJ-UHFFFAOYSA-N
MW588.61 g/mol
LogP9.29
Rot. Bonds6

About CID 11039200

CID 11039200 (PubChem CID 11039200) has the molecular formula C28H43N2Ta-2 and a molecular weight of 588.61 g/mol.

Molecular Properties

Compound NameCID 11039200
PubChem CID11039200
Molecular FormulaC28H43N2Ta-2
Molecular Weight588.61 g/mol
Exact Mass588.29
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1N=[Ta].C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]CCCC(C)=[N-]
InChIInChI=1S/C12H17N.C10H15.C6H11N.Ta/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-7(2)9(4)10(5)8(6)3;1-3-4-5-6(2)7;/h5-9H,1-4H3;1-5H3;1,3-5H2,2H3;/q;;-2;
InChIKeyUJBRLXPLUSIEJJ-UHFFFAOYSA-N
XLogP9.29
TPSA34.66 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.61
LogP ≤ 59.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
CID 11767879
CID 11767879
N-(2-methyl-6-propan-2-ylphenyl)propan-2-imine
CID 123174070
bis(2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine);nickel;toluene
CID 139138147
ethyl N-[2,6-di(propan-2-yl)phenyl]ethanimidate
CID 139084602
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
2-N-(2,6-diethylphenyl)-3-N-[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;nickel
CID 87861081
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
bis(dibromopalladium);3-N-[2,6-di(propan-2-yl)phenyl]-2-N-[4-[3-[2,6-di(propan-2-yl)phenyl]iminobutan-2-ylideneamino]-2,3,5,6-tetramethylphenyl]butane-2,3-diimine
CID 20750698
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
N-[2,6-di(propan-2-yl)phenyl]-2,3-dimethylbut-1-en-1-imine
CID 13230672

Frequently Asked Questions

What is the IUPAC name of CID 11039200?
The IUPAC name of CID 11039200 (CID 11039200) is not available.
What is the SMILES notation for CID 11039200?
The canonical SMILES for CID 11039200 is CC(C)c1cccc(C(C)C)c1N=[Ta].C[C]1[C](C)[C](C)[C](C)[C]1C.[CH2-]CCCC(C)=[N-].
What is the InChIKey of CID 11039200?
The InChIKey is UJBRLXPLUSIEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.C10H15.C6H11N.Ta/c1-8(2)10-6-5-7-11(9(3)4)12(10)13;1-6-7(2)9(4)10(5)8(6)3;1-3-4-5-6(2)7;/h5-9H,1-4H3;1-5H3;1,3-5H2,2H3;/q;;-2;.
What are the key properties of CID 11039200?
CID 11039200 has a molecular weight of 588.61 g/mol, XLogP of 9.29, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11039200 is sourced from PubChem (CID 11039200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).