1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel

C38H26Cl2F2N2Ni — CID 140654262

IUPAC1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel
SMILESCl[Ni]Cl.Fc1ccc(C(=N\c2ccccc2-c2ccccc2)/C(=N/c2ccccc2-c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C38H26F2N2.2ClH.Ni/c39-31-23-19-29(20-24-31)37(41-35-17-9-7-15-33(35)27-11-3-1-4-12-27)38(30-21-25-32(40)26-22-30)42-36-18-10-8-16-34(36)28-13-5-2-6-14-28;;;/h1-26H;2*1H;/q;;;+2/p-2/b41-37+,42-38+;;;
InChIKeyACFGRWXUGZQAOO-XMSVOTGESA-L
MW678.24 g/mol
LogP11.62
Rot. Bonds7

About 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel

1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel (PubChem CID 140654262) has the molecular formula C38H26Cl2F2N2Ni and a molecular weight of 678.24 g/mol. Its IUPAC name is 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel.

Molecular Properties

Compound Name1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel
PubChem CID140654262
Molecular FormulaC38H26Cl2F2N2Ni
Molecular Weight678.24 g/mol
Exact Mass676.08
IUPAC Name1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel
SMILESCl[Ni]Cl.Fc1ccc(C(=N\c2ccccc2-c2ccccc2)/C(=N/c2ccccc2-c2ccccc2)c2ccc(F)cc2)cc1
InChIInChI=1S/C38H26F2N2.2ClH.Ni/c39-31-23-19-29(20-24-31)37(41-35-17-9-7-15-33(35)27-11-3-1-4-12-27)38(30-21-25-32(40)26-22-30)42-36-18-10-8-16-34(36)28-13-5-2-6-14-28;;;/h1-26H;2*1H;/q;;;+2/p-2/b41-37+,42-38+;;;
InChIKeyACFGRWXUGZQAOO-XMSVOTGESA-L
XLogP11.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.24
LogP ≤ 511.62
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

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1-[5-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]thiophen-2-yl]-N-(2-phenylphenyl)ethanimine
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N,N'-bis(2,6-dimethylphenyl)-1,2-bis(4-fluorophenyl)ethane-1,2-diimine
CID 140654196
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CID 101171806
1-fluoro-4-[2-(4-fluorophenyl)-1,2-diphenylethenyl]benzene
CID 71376552
(NE)-N-[(2E)-1,2-bis(4-fluorophenyl)-2-hydroxyiminoethylidene]hydroxylamine
CID 177490589
1-[6-[C-methyl-N-(2-phenylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-phenylphenyl)ethanimine
CID 58927833
1-fluoro-2-[2-(2-phenylphenyl)phenyl]benzene
CID 141475621
methane;1-phenyl-2-(2-phenylphenyl)benzene
CID 144789864
1-fluoro-2-(4-fluorophenyl)-3-phenylbenzene
CID 57054132
3,4-bis(4-fluorophenyl)-2,5-diphenylcyclopenta-2,4-dien-1-one
CID 634528

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel?
The IUPAC name of 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel (CID 140654262) is 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel.
What is the SMILES notation for 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel?
The canonical SMILES for 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel is Cl[Ni]Cl.Fc1ccc(C(=N\c2ccccc2-c2ccccc2)/C(=N/c2ccccc2-c2ccccc2)c2ccc(F)cc2)cc1.
What is the InChIKey of 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel?
The InChIKey is ACFGRWXUGZQAOO-XMSVOTGESA-L. The full InChI is InChI=1S/C38H26F2N2.2ClH.Ni/c39-31-23-19-29(20-24-31)37(41-35-17-9-7-15-33(35)27-11-3-1-4-12-27)38(30-21-25-32(40)26-22-30)42-36-18-10-8-16-34(36)28-13-5-2-6-14-28;;;/h1-26H;2*1H;/q;;;+2/p-2/b41-37+,42-38+;;;.
What are the key properties of 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel?
1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel has a molecular weight of 678.24 g/mol, XLogP of 11.62, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(4-fluorophenyl)-N,N'-bis(2-phenylphenyl)ethane-1,2-diimine;dichloronickel is sourced from PubChem (CID 140654262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).