pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine

C257H225Br10F3Fe5N11Ni5O — CID 162274725

IUPACpentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine
SMILESBr[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1cccc2cccnc12)\c1ccc[n-]1.C/C(=N\c1ccccc1C(C)C)c1ccc[n-]1.CC(C)c1ccccc1/N=C(/c1ccc[n-]1)C(F)(F)F.CC(C)c1ccccc1/N=C(\c1ccccc1)c1ccc[n-]1.COc1ccccc1-c1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/5C35H30.C20H19N2.C18H15N2O.C15H14F3N2.C15H17N2.C14H10N3.10BrH.5Fe.5Ni/c5*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;1-15(2)17-11-6-7-12-18(17)22-20(19-13-8-14-21-19)16-9-4-3-5-10-16;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-10(2)11-6-3-4-7-12(11)20-14(15(16,17)18)13-8-5-9-19-13;1-11(2)13-7-4-5-8-15(13)17-12(3)14-9-6-10-16-14;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;;;;;;;;;;;;;;;;;;/h5*1-25,31-35H;3-15H,1-2H3;2-13H,1H3;3-10H,1-2H3;4-11H,1-3H3;1-10H;10*1H;;;;;;;;;;/q;;;;;5*-1;;;;;;;;;;;;;;;;5*+3/p-10/b;;;;;22-20+;20-13+;20-14-;17-12+;17-10+;;;;;;;;;;;;;;;;;;;;
InChIKeyWZWYKIQLBQZGPW-IJZUTMISSA-D
MW4912.43 g/mol
LogP73.33
Rot. Bonds41

About pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine

pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine (PubChem CID 162274725) has the molecular formula C257H225Br10F3Fe5N11Ni5O and a molecular weight of 4912.43 g/mol. Its IUPAC name is pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine.

Molecular Properties

Compound Namepentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine
PubChem CID162274725
Molecular FormulaC257H225Br10F3Fe5N11Ni5O
Molecular Weight4912.43 g/mol
Exact Mass4896.32
IUPAC Namepentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine
SMILESBr[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1cccc2cccnc12)\c1ccc[n-]1.C/C(=N\c1ccccc1C(C)C)c1ccc[n-]1.CC(C)c1ccccc1/N=C(/c1ccc[n-]1)C(F)(F)F.CC(C)c1ccccc1/N=C(\c1ccccc1)c1ccc[n-]1.COc1ccccc1-c1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
InChIInChI=1S/5C35H30.C20H19N2.C18H15N2O.C15H14F3N2.C15H17N2.C14H10N3.10BrH.5Fe.5Ni/c5*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;1-15(2)17-11-6-7-12-18(17)22-20(19-13-8-14-21-19)16-9-4-3-5-10-16;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-10(2)11-6-3-4-7-12(11)20-14(15(16,17)18)13-8-5-9-19-13;1-11(2)13-7-4-5-8-15(13)17-12(3)14-9-6-10-16-14;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;;;;;;;;;;;;;;;;;;/h5*1-25,31-35H;3-15H,1-2H3;2-13H,1H3;3-10H,1-2H3;4-11H,1-3H3;1-10H;10*1H;;;;;;;;;;/q;;;;;5*-1;;;;;;;;;;;;;;;;5*+3/p-10/b;;;;;22-20+;20-13+;20-14-;17-12+;17-10+;;;;;;;;;;;;;;;;;;;;
InChIKeyWZWYKIQLBQZGPW-IJZUTMISSA-D
XLogP73.33
TPSA154.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds41
Heavy Atoms292
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004912.43
LogP ≤ 573.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine with MolForge

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Frequently Asked Questions

What is the IUPAC name of pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine?
The IUPAC name of pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine (CID 162274725) is pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine.
What is the SMILES notation for pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine?
The canonical SMILES for pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine is Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1cccc2cccnc12)\c1ccc[n-]1.C/C(=N\c1ccccc1C(C)C)c1ccc[n-]1.CC(C)c1ccccc1/N=C(/c1ccc[n-]1)C(F)(F)F.CC(C)c1ccccc1/N=C(\c1ccccc1)c1ccc[n-]1.COc1ccccc1-c1ccccc1/N=C/c1ccc[n-]1.[Fe].[Fe].[Fe].[Fe].[Fe].c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.
What is the InChIKey of pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine?
The InChIKey is WZWYKIQLBQZGPW-IJZUTMISSA-D. The full InChI is InChI=1S/5C35H30.C20H19N2.C18H15N2O.C15H14F3N2.C15H17N2.C14H10N3.10BrH.5Fe.5Ni/c5*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;1-15(2)17-11-6-7-12-18(17)22-20(19-13-8-14-21-19)16-9-4-3-5-10-16;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-10(2)11-6-3-4-7-12(11)20-14(15(16,17)18)13-8-5-9-19-13;1-11(2)13-7-4-5-8-15(13)17-12(3)14-9-6-10-16-14;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;;;;;;;;;;;;;;;;;;;;/h5*1-25,31-35H;3-15H,1-2H3;2-13H,1H3;3-10H,1-2H3;4-11H,1-3H3;1-10H;10*1H;;;;;;;;;;/q;;;;;5*-1;;;;;;;;;;;;;;;;5*+3/p-10/b;;;;;22-20+;20-13+;20-14-;17-12+;17-10+;;;;;;;;;;;;;;;;;;;;.
What are the key properties of pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine?
pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine has a molecular weight of 4912.43 g/mol, XLogP of 73.33, 41 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(dibromonickel(1+));iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-phenyl-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;pentakis((2,3,4,5-tetraphenylcyclopentyl)benzene);2,2,2-trifluoro-N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylethanimine is sourced from PubChem (CID 162274725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).