2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel

C28H24Cl2N2Ni — CID 140654018

IUPAC2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel
SMILESCC(=N\c1ccccc1-c1ccccc1)/C(C)=N/c1ccccc1-c1ccccc1.Cl[Ni]Cl
InChIInChI=1S/C28H24N2.2ClH.Ni/c1-21(29-27-19-11-9-17-25(27)23-13-5-3-6-14-23)22(2)30-28-20-12-10-18-26(28)24-15-7-4-8-16-24;;;/h3-20H,1-2H3;2*1H;/q;;;+2/p-2/b29-21+,30-22+;;;
InChIKeyQXRMHHBYXPWQCM-GGVBBUNRSA-L
MW518.11 g/mol
LogP9.28
Rot. Bonds5

About 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel

2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel (PubChem CID 140654018) has the molecular formula C28H24Cl2N2Ni and a molecular weight of 518.11 g/mol. Its IUPAC name is 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel.

Molecular Properties

Compound Name2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel
PubChem CID140654018
Molecular FormulaC28H24Cl2N2Ni
Molecular Weight518.11 g/mol
Exact Mass516.07
IUPAC Name2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel
SMILESCC(=N\c1ccccc1-c1ccccc1)/C(C)=N/c1ccccc1-c1ccccc1.Cl[Ni]Cl
InChIInChI=1S/C28H24N2.2ClH.Ni/c1-21(29-27-19-11-9-17-25(27)23-13-5-3-6-14-23)22(2)30-28-20-12-10-18-26(28)24-15-7-4-8-16-24;;;/h3-20H,1-2H3;2*1H;/q;;;+2/p-2/b29-21+,30-22+;;;
InChIKeyQXRMHHBYXPWQCM-GGVBBUNRSA-L
XLogP9.28
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.11
LogP ≤ 59.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel
CID 140654262
2-N,3-N-bis(4-phenylphenyl)butane-2,3-diimine;dichloronickel
CID 140654060
1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
CID 20701787
1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
CID 58927833
1-(3-methylphenyl)-N-(2-phenylphenyl)ethanimine
CID 101171806
2-[3-(2-sulfanylphenyl)iminobutan-2-ylideneamino]benzenethiol
CID 136698371
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
1,1-diphenyl-N-[2-(2,3,4,5-tetraphenylphenyl)phenyl]methanimine
CID 86227869
N-(2-phenylphenyl)propan-1-imine
CID 70437330
imino-(2-phenylphenyl)iminoazanium
CID 6334229
1-isoselenocyanato-2-phenylbenzene
CID 155664094
4-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2,5-diphenyl-1H-pyrazol-3-one
CID 135728590

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel?
The IUPAC name of 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel (CID 140654018) is 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel.
What is the SMILES notation for 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel?
The canonical SMILES for 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel is CC(=N\c1ccccc1-c1ccccc1)/C(C)=N/c1ccccc1-c1ccccc1.Cl[Ni]Cl.
What is the InChIKey of 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel?
The InChIKey is QXRMHHBYXPWQCM-GGVBBUNRSA-L. The full InChI is InChI=1S/C28H24N2.2ClH.Ni/c1-21(29-27-19-11-9-17-25(27)23-13-5-3-6-14-23)22(2)30-28-20-12-10-18-26(28)24-15-7-4-8-16-24;;;/h3-20H,1-2H3;2*1H;/q;;;+2/p-2/b29-21+,30-22+;;;.
What are the key properties of 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel?
2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel has a molecular weight of 518.11 g/mol, XLogP of 9.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2-phenylphenyl)butane-2,3-diimine;dichloronickel is sourced from PubChem (CID 140654018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).