pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)

C217H205Br10Fe5N12Ni5O — CID 162274728

IUPACpentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)
SMILESBr[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1ccccc1-n1cccc1)\c1ccc[n-]1.CC(C)c1ccccc1/N=C/c1ccc[n-]1.CC1C(C)C(C)C(C)C1C.CN(C)Cc1ccccc1/N=C/c1ccc[n-]1.COc1ccccc1/N=C/c1ccc[n-]1.Cc1ccccc1/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
InChIInChI=1S/4C35H30.C15H12N3.C14H16N3.C14H15N2.C12H11N2O.C12H11N2.C10H20.10BrH.5Fe.5Ni/c4*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;1-2-8-15(18-10-3-4-11-18)14(7-1)17-12-13-6-5-9-16-13;1-17(2)11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;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;1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;;;;;;/h4*1-25,31-35H;1-12H;3-10H,11H2,1-2H3;3-11H,1-2H3;2-9H,1H3;2-9H,1H3;6-10H,1-5H3;10*1H;;;;;;;;;;/q;;;;5*-1;;;;;;;;;;;;;;;;;5*+3/p-10/b;;;;17-12+;2*16-10+;2*14-9+;;;;;;;;;;;;;;;;;;;;;
InChIKeyQBKKGRJRKDZNCN-NLSLIAMNSA-D
MW4368.84 g/mol
LogP61.55
Rot. Bonds35

About pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)

pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene) (PubChem CID 162274728) has the molecular formula C217H205Br10Fe5N12Ni5O and a molecular weight of 4368.84 g/mol. Its IUPAC name is pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene).

Molecular Properties

Compound Namepentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)
PubChem CID162274728
Molecular FormulaC217H205Br10Fe5N12Ni5O
Molecular Weight4368.84 g/mol
Exact Mass4353.17
IUPAC Namepentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)
SMILESBr[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1ccccc1-n1cccc1)\c1ccc[n-]1.CC(C)c1ccccc1/N=C/c1ccc[n-]1.CC1C(C)C(C)C(C)C1C.CN(C)Cc1ccccc1/N=C/c1ccc[n-]1.COc1ccccc1/N=C/c1ccc[n-]1.Cc1ccccc1/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
InChIInChI=1S/4C35H30.C15H12N3.C14H16N3.C14H15N2.C12H11N2O.C12H11N2.C10H20.10BrH.5Fe.5Ni/c4*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;1-2-8-15(18-10-3-4-11-18)14(7-1)17-12-13-6-5-9-16-13;1-17(2)11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;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;1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;;;;;;/h4*1-25,31-35H;1-12H;3-10H,11H2,1-2H3;3-11H,1-2H3;2-9H,1H3;2-9H,1H3;6-10H,1-5H3;10*1H;;;;;;;;;;/q;;;;5*-1;;;;;;;;;;;;;;;;;5*+3/p-10/b;;;;17-12+;2*16-10+;2*14-9+;;;;;;;;;;;;;;;;;;;;;
InChIKeyQBKKGRJRKDZNCN-NLSLIAMNSA-D
XLogP61.55
TPSA149.70 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds35
Heavy Atoms250
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5004368.84
LogP ≤ 561.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene) with MolForge

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Related Compounds

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
carbanide;tris(dibromonickel(1+));dichloronickel(1+);N-(4-fluoro-2-methylphenyl)-1-phenyl-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(nickel(2+));pentafluoro-lambda5-stibane;tris(1,2,3,4,5-pentamethylcyclopentane);propane;N-(2-propan-2-ylphenyl)-1-[5-[2-(2,3,4,5-tetraphenylcyclopentyl)propan-2-yl]pyrrol-1-id-2-yl]methanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;1-pyrrol-1-id-2-yl-N-[2-(trifluoromethyl)phenyl]ethanimine;(2,3,4,5-tetraphenylcyclopentyl)benzene;(2,3,4-triphenylcyclopentyl)benzene;bromide;fluoride
CID 162274753
tetrakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-[2-(2-methoxyphenyl)phenyl]-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;1-pyrrol-1-id-2-yl-N-quinolin-8-ylmethanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)
CID 162274729
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

Frequently Asked Questions

What is the IUPAC name of pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The IUPAC name of pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene) (CID 162274728) is pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene).
What is the SMILES notation for pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The canonical SMILES for pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene) is Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1ccccc1-n1cccc1)\c1ccc[n-]1.CC(C)c1ccccc1/N=C/c1ccc[n-]1.CC1C(C)C(C)C(C)C1C.CN(C)Cc1ccccc1/N=C/c1ccc[n-]1.COc1ccccc1/N=C/c1ccc[n-]1.Cc1ccccc1/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.
What is the InChIKey of pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
The InChIKey is QBKKGRJRKDZNCN-NLSLIAMNSA-D. The full InChI is InChI=1S/4C35H30.C15H12N3.C14H16N3.C14H15N2.C12H11N2O.C12H11N2.C10H20.10BrH.5Fe.5Ni/c4*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;1-2-8-15(18-10-3-4-11-18)14(7-1)17-12-13-6-5-9-16-13;1-17(2)11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13;1-11(2)13-7-3-4-8-14(13)16-10-12-6-5-9-15-12;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;1-6-7(2)9(4)10(5)8(6)3;;;;;;;;;;;;;;;;;;;;/h4*1-25,31-35H;1-12H;3-10H,11H2,1-2H3;3-11H,1-2H3;2-9H,1H3;2-9H,1H3;6-10H,1-5H3;10*1H;;;;;;;;;;/q;;;;5*-1;;;;;;;;;;;;;;;;;5*+3/p-10/b;;;;17-12+;2*16-10+;2*14-9+;;;;;;;;;;;;;;;;;;;;;.
What are the key properties of pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene)?
pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene) has a molecular weight of 4368.84 g/mol, XLogP of 61.55, 35 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentakis(dibromonickel(1+));N,N-dimethyl-1-[2-(pyrrol-1-id-2-ylmethylideneamino)phenyl]methanamine;iron;N-(2-methoxyphenyl)-1-pyrrol-1-id-2-ylmethanimine;N-(2-methylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1,2,3,4,5-pentamethylcyclopentane;N-(2-propan-2-ylphenyl)-1-pyrrol-1-id-2-ylmethanimine;1-pyrrol-1-id-2-yl-N-(2-pyrrol-1-ylphenyl)methanimine;tetrakis((2,3,4,5-tetraphenylcyclopentyl)benzene) is sourced from PubChem (CID 162274728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).