bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel

C30H22Cl2N2NiO2+2 — CID 50896907

IUPACbis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel
SMILESClc1ccc(/[NH+]=c2\ccc3ccccc3o2)cc1.Clc1ccc(/[NH+]=c2\ccc3ccccc3o2)cc1.[Ni]
InChIInChI=1S/2C15H10ClNO.Ni/c2*16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)18-15;/h2*1-10H;/p+2/b2*17-15+;
InChIKeyIGDXKZANUDLSOW-RVUOTHGYSA-P
MW572.12 g/mol
LogP4.80
Rot. Bonds2

About bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel

bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel (PubChem CID 50896907) has the molecular formula C30H22Cl2N2NiO2+2 and a molecular weight of 572.12 g/mol. Its IUPAC name is bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel.

Molecular Properties

Compound Namebis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel
PubChem CID50896907
Molecular FormulaC30H22Cl2N2NiO2+2
Molecular Weight572.12 g/mol
Exact Mass570.04
IUPAC Namebis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel
SMILESClc1ccc(/[NH+]=c2\ccc3ccccc3o2)cc1.Clc1ccc(/[NH+]=c2\ccc3ccccc3o2)cc1.[Ni]
InChIInChI=1S/2C15H10ClNO.Ni/c2*16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)18-15;/h2*1-10H;/p+2/b2*17-15+;
InChIKeyIGDXKZANUDLSOW-RVUOTHGYSA-P
XLogP4.80
TPSA54.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.12
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

bis(N-(4-chlorophenyl)chromen-2-imine);nickel
CID 6517634
1-benzofuran;1-chloro-4-phenylbenzene
CID 175596576
1-benzofuran-2-yl-(4-chlorophenyl)methanamine
CID 13048639
chromen-2-one;copper
CID 175033656
2-[3-(4-chlorophenyl)phenyl]-1-benzofuran
CID 170402405
2-[4-[(E)-2-(4-chlorophenyl)ethenyl]phenyl]-1-benzofuran
CID 88836846
3-[(2S,3R)-3-(4-chlorophenyl)oxirane-2-carbonyl]chromen-2-one
CID 11198188
CID 175559318
CID 175559318
2-chloronaphthalene;naphthalene
CID 159169098
3-[(4-chlorophenyl)methylideneamino]chromen-2-one
CID 15930944
chromen-2-one;1,4-dioxine
CID 175414540
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045

Frequently Asked Questions

What is the IUPAC name of bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel?
The IUPAC name of bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel (CID 50896907) is bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel.
What is the SMILES notation for bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel?
The canonical SMILES for bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel is Clc1ccc(/[NH+]=c2\ccc3ccccc3o2)cc1.Clc1ccc(/[NH+]=c2\ccc3ccccc3o2)cc1.[Ni].
What is the InChIKey of bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel?
The InChIKey is IGDXKZANUDLSOW-RVUOTHGYSA-P. The full InChI is InChI=1S/2C15H10ClNO.Ni/c2*16-12-6-8-13(9-7-12)17-15-10-5-11-3-1-2-4-14(11)18-15;/h2*1-10H;/p+2/b2*17-15+;.
What are the key properties of bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel?
bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel has a molecular weight of 572.12 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis((4-chlorophenyl)-chromen-2-ylideneazanium);nickel is sourced from PubChem (CID 50896907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).