bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide

C25H37N2ORe- — CID 177456396

IUPACbis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide
SMILESCC(C)c1cccc(C(C)C)c1N=[Re](=O)=Nc1c(C(C)C)cccc1C(C)C.[CH3-]
InChIInChI=1S/2C12H17N.CH3.O.Re/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9H,1-4H3;1H3;;/q;;-1;;
InChIKeyDOTYEUBGKTZHAH-UHFFFAOYSA-N
MW567.79 g/mol
LogP8.92
Rot. Bonds6

About bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide

bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide (PubChem CID 177456396) has the molecular formula C25H37N2ORe- and a molecular weight of 567.79 g/mol. Its IUPAC name is bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide.

Molecular Properties

Compound Namebis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide
PubChem CID177456396
Molecular FormulaC25H37N2ORe-
Molecular Weight567.79 g/mol
Exact Mass568.25
IUPAC Namebis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide
SMILESCC(C)c1cccc(C(C)C)c1N=[Re](=O)=Nc1c(C(C)C)cccc1C(C)C.[CH3-]
InChIInChI=1S/2C12H17N.CH3.O.Re/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9H,1-4H3;1H3;;/q;;-1;;
InChIKeyDOTYEUBGKTZHAH-UHFFFAOYSA-N
XLogP8.92
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.79
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,6-di(propan-2-yl)phenyl]iminotantalum
CID 10864957
[2,6-di(propan-2-yl)phenyl]iminotitanium(2+)
CID 11564443
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;carbanide;nickel
CID 21339154
3-N,5-N-bis[2,6-di(propan-2-yl)phenyl]-4-methylheptane-3,5-diimine
CID 126613596
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
5-[2,6-di(propan-2-yl)phenyl]imino-4-ethylheptan-3-one
CID 139343063
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
(2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide
CID 12055999
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731
N-[2,6-di(propan-2-yl)phenyl]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
3-[N-[2,6-di(propan-2-yl)phenyl]-C-methylcarbonimidoyl]pentane-2,4-dione
CID 102209493
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;dibromonickel
CID 21339155

Frequently Asked Questions

What is the IUPAC name of bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide?
The IUPAC name of bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide (CID 177456396) is bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide.
What is the SMILES notation for bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide?
The canonical SMILES for bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide is CC(C)c1cccc(C(C)C)c1N=[Re](=O)=Nc1c(C(C)C)cccc1C(C)C.[CH3-].
What is the InChIKey of bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide?
The InChIKey is DOTYEUBGKTZHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.CH3.O.Re/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;;;/h2*5-9H,1-4H3;1H3;;/q;;-1;;.
What are the key properties of bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide?
bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide has a molecular weight of 567.79 g/mol, XLogP of 8.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide is sourced from PubChem (CID 177456396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).