tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)

C140H147Br8FFe4N8Ni4O — CID 162274738

IUPACtetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)
SMILESBr[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.CC(C)c1ccccc1/N=C/c1ccc[n-]1.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.COc1ccccc1/N=C/c1ccc[n-]1.Cc1cc(F)ccc1/N=C/c1ccc[n-]1.Cc1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/2C35H30.C14H15N2.C12H10FN2.C12H11N2O.C12H11N2.2C10H20.8BrH.4Fe.4Ni/c2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;1-9-7-10(13)4-5-12(9)15-8-11-3-2-6-14-11;1-15-12-7-3-2-6-11(12)14-9-10-5-4-8-13-10;1-10-5-2-3-7-12(10)14-9-11-6-4-8-13-11;2*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;;/h2*1-25,31-35H;3-11H,1-2H3;2-8H,1H3;2-9H,1H3;2-9H,1H3;2*6-10H,1-5H3;8*1H;;;;;;;;/q;;4*-1;;;;;;;;;;;;;;;4*+3/p-8/b;;16-10+;15-8+;2*14-9+;;;;;;;;;;;;;;;;;;
InChIKeyGOSDAFANXIJSMM-WCYJVFNOSA-F
MW3074.15 g/mol
LogP42.41
Rot. Bonds20

About tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)

tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) (PubChem CID 162274738) has the molecular formula C140H147Br8FFe4N8Ni4O and a molecular weight of 3074.15 g/mol. Its IUPAC name is tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene).

Molecular Properties

Compound Nametetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)
PubChem CID162274738
Molecular FormulaC140H147Br8FFe4N8Ni4O
Molecular Weight3074.15 g/mol
Exact Mass3062.00
IUPAC Nametetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)
SMILESBr[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.CC(C)c1ccccc1/N=C/c1ccc[n-]1.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.COc1ccccc1/N=C/c1ccc[n-]1.Cc1cc(F)ccc1/N=C/c1ccc[n-]1.Cc1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/2C35H30.C14H15N2.C12H10FN2.C12H11N2O.C12H11N2.2C10H20.8BrH.4Fe.4Ni/c2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;1-9-7-10(13)4-5-12(9)15-8-11-3-2-6-14-11;1-15-12-7-3-2-6-11(12)14-9-10-5-4-8-13-10;1-10-5-2-3-7-12(10)14-9-11-6-4-8-13-11;2*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;;/h2*1-25,31-35H;3-11H,1-2H3;2-8H,1H3;2-9H,1H3;2-9H,1H3;2*6-10H,1-5H3;8*1H;;;;;;;;/q;;4*-1;;;;;;;;;;;;;;;4*+3/p-8/b;;16-10+;15-8+;2*14-9+;;;;;;;;;;;;;;;;;;
InChIKeyGOSDAFANXIJSMM-WCYJVFNOSA-F
XLogP42.41
TPSA115.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds20
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003074.15
LogP ≤ 542.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) with MolForge

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Related Compounds

CID 162274725
CID 162274725
CID 162274753
CID 162274753
CID 162274728
CID 162274728
CID 162274729
CID 162274729

Frequently Asked Questions

What is the IUPAC name of tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The IUPAC name of tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) (CID 162274738) is tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene).
What is the SMILES notation for tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The canonical SMILES for tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) is Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.CC(C)c1ccccc1/N=C/c1ccc[n-]1.CC1C(C)C(C)C(C)C1C.CC1C(C)C(C)C(C)C1C.COc1ccccc1/N=C/c1ccc[n-]1.Cc1cc(F)ccc1/N=C/c1ccc[n-]1.Cc1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The InChIKey is GOSDAFANXIJSMM-WCYJVFNOSA-F. The full InChI is InChI=1S/2C35H30.C14H15N2.C12H10FN2.C12H11N2O.C12H11N2.2C10H20.8BrH.4Fe.4Ni/c2*1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(29-22-12-4-13-23-29)35(30-24-14-5-15-25-30)33(31)28-20-10-3-11-21-28;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;1-9-7-10(13)4-5-12(9)15-8-11-3-2-6-14-11;1-15-12-7-3-2-6-11(12)14-9-10-5-4-8-13-10;1-10-5-2-3-7-12(10)14-9-11-6-4-8-13-11;2*1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;;/h2*1-25,31-35H;3-11H,1-2H3;2-8H,1H3;2-9H,1H3;2-9H,1H3;2*6-10H,1-5H3;8*1H;;;;;;;;/q;;4*-1;;;;;;;;;;;;;;;4*+3/p-8/b;;16-10+;15-8+;2*14-9+;;;;;;;;;;;;;;;;;;.
What are the key properties of tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) has a molecular weight of 3074.15 g/mol, XLogP of 42.41, 20 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(dibromonickel(1+));N-(4-fluoro-2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis(1,2,3,4,5-pentamethylcyclopentane);N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;bis((2,3,4,5-tetraphenylcyclopentyl)benzene) is sourced from PubChem (CID 162274738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).