bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)

C30H24N2NiO4 — CID 26867

IUPACbis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)
SMILESCC(=O)N([O-])c1ccc2c(c1)Cc1ccccc1-2.CC(=O)N([O-])c1ccc2c(c1)Cc1ccccc1-2.[Ni+2]
InChIInChI=1S/2C15H12NO2.Ni/c2*1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15;/h2*2-7,9H,8H2,1H3;/q2*-1;+2
InChIKeyWXUBDSGVWGAHHQ-UHFFFAOYSA-N
MW535.23 g/mol
LogP6.21
Rot. Bonds2

About bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)

bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+) (PubChem CID 26867) has the molecular formula C30H24N2NiO4 and a molecular weight of 535.23 g/mol. Its IUPAC name is bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+).

Molecular Properties

Compound Namebis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)
PubChem CID26867
Molecular FormulaC30H24N2NiO4
Molecular Weight535.23 g/mol
Exact Mass534.11
IUPAC Namebis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)
SMILESCC(=O)N([O-])c1ccc2c(c1)Cc1ccccc1-2.CC(=O)N([O-])c1ccc2c(c1)Cc1ccccc1-2.[Ni+2]
InChIInChI=1S/2C15H12NO2.Ni/c2*1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15;/h2*2-7,9H,8H2,1H3;/q2*-1;+2
InChIKeyWXUBDSGVWGAHHQ-UHFFFAOYSA-N
XLogP6.21
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.23
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(9H-fluoren-2-yl)-N-iodoacetamide
CID 57058849
acetic acid;azane;9H-fluorene
CID 174966259
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967
9H-fluorene;oxophosphane
CID 174601741
9H-fluorene;methyl acetate
CID 143080534
N-hydroxy-N-(12-oxo-7H-benzo[a]anthracen-3-yl)acetamide
CID 91256842
ethane;9H-fluoren-2-ol
CID 91146688
nonacyclo[18.14.0.03,18.04,16.06,14.08,13.021,33.023,31.025,30]tetratriaconta-1,3(18),4(16),5,8,10,12,14,19,21(33),22,25,27,29,31-pentadecaene
CID 59863436
9H-fluorene-2-carboxamide;hydrochloride
CID 21224790
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
4-(9H-fluoren-2-yl)-N-[4-(9H-fluoren-3-yl)phenyl]-N-methylaniline
CID 121465169

Frequently Asked Questions

What is the IUPAC name of bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)?
The IUPAC name of bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+) (CID 26867) is bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+).
What is the SMILES notation for bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)?
The canonical SMILES for bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+) is CC(=O)N([O-])c1ccc2c(c1)Cc1ccccc1-2.CC(=O)N([O-])c1ccc2c(c1)Cc1ccccc1-2.[Ni+2].
What is the InChIKey of bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)?
The InChIKey is WXUBDSGVWGAHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H12NO2.Ni/c2*1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15;/h2*2-7,9H,8H2,1H3;/q2*-1;+2.
What are the key properties of bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+)?
bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+) has a molecular weight of 535.23 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-(9H-fluoren-2-yl)-N-oxidoacetamide);nickel(2+) is sourced from PubChem (CID 26867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).