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

C31H43N4Re-3 — CID 12055999

IUPAC(2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide
SMILESCC(C)c1cccc(C(C)C)c1N=[Re]=Nc1c(C(C)C)cccc1C(C)C.[CH3-].[NH-]c1ccccc1[NH-]
InChIInChI=1S/2C12H17N.C6H6N2.CH3.Re/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-5-3-1-2-4-6(5)8;;/h2*5-9H,1-4H3;1-4,7-8H;1H3;/q;;-2;-1;
InChIKeyKUOBTUVYJQMZKI-UHFFFAOYSA-N
MW657.92 g/mol
LogP12.10
Rot. Bonds6

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

(2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide (PubChem CID 12055999) has the molecular formula C31H43N4Re-3 and a molecular weight of 657.92 g/mol. Its IUPAC name is (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide.

Molecular Properties

Compound Name(2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide
PubChem CID12055999
Molecular FormulaC31H43N4Re-3
Molecular Weight657.92 g/mol
Exact Mass658.31
IUPAC Name(2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide
SMILESCC(C)c1cccc(C(C)C)c1N=[Re]=Nc1c(C(C)C)cccc1C(C)C.[CH3-].[NH-]c1ccccc1[NH-]
InChIInChI=1S/2C12H17N.C6H6N2.CH3.Re/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-5-3-1-2-4-6(5)8;;/h2*5-9H,1-4H3;1-4,7-8H;1H3;/q;;-2;-1;
InChIKeyKUOBTUVYJQMZKI-UHFFFAOYSA-N
XLogP12.10
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.92
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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
tetrakis([2,6-di(propan-2-yl)phenyl]azanide);ytterbium
CID 5249219
[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
bis[[2,6-di(propan-2-yl)phenyl]imino]-oxorhenium;carbanide
CID 177456396
2-N,3-N-bis[2,6-di(propan-2-yl)phenyl]butane-2,3-diimine;carbanide;nickel monohydride
CID 59870067
lithium;hydride;2-propan-2-ylphenol
CID 175276368
1,2-di(propan-2-yl)benzene;dihydrate
CID 70397314
N,N'-bis[2,6-di(propan-2-yl)phenyl]ethane-1,2-diimine;cobalt
CID 69498606
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]-1-[4-[[2,6-di(propan-2-yl)phenyl]iminomethyl]phenyl]methanimine
CID 2755070
N-[2,6-di(propan-2-yl)phenyl]ethanimidoyl bromide
CID 132938731

Frequently Asked Questions

What is the IUPAC name of (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide?
The IUPAC name of (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide (CID 12055999) is (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide.
What is the SMILES notation for (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide?
The canonical SMILES for (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide is CC(C)c1cccc(C(C)C)c1N=[Re]=Nc1c(C(C)C)cccc1C(C)C.[CH3-].[NH-]c1ccccc1[NH-].
What is the InChIKey of (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide?
The InChIKey is KUOBTUVYJQMZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H17N.C6H6N2.CH3.Re/c2*1-8(2)10-6-5-7-11(9(3)4)12(10)13;7-5-3-1-2-4-6(5)8;;/h2*5-9H,1-4H3;1-4,7-8H;1H3;/q;;-2;-1;.
What are the key properties of (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide?
(2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide has a molecular weight of 657.92 g/mol, XLogP of 12.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-azanidylphenyl)azanide;bis[[2,6-di(propan-2-yl)phenyl]imino]rhenium;carbanide is sourced from PubChem (CID 12055999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).