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)

C201H173Br8Fe4N11Ni4O — CID 162274729

About 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)

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) (PubChem CID 162274729) has the molecular formula C201H173Br8Fe4N11Ni4O and a molecular weight of 3856.05 g/mol. Its IUPAC name is 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).

Molecular Properties

• Compound Name: 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)
• PubChem CID: 162274729
• Molecular Formula: C201H173Br8Fe4N11Ni4O
• Molecular Weight: 3856.05 g/mol
• Exact Mass: 3843.21
• IUPAC Name: 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)
• SMILES: Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1cccc2cccnc12)\c1ccc[n-]1.C(=N/c1ccccc1-n1cccc1)\c1ccc[n-]1.CN(C)Cc1ccccc1/N=C/c1ccc[n-]1.COc1ccccc1-c1ccccc1/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.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1.c1ccc(C2C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)C2c2ccccc2)cc1
• InChI: InChI=1S/4C35H30.C18H15N2O.C15H12N3.C14H10N3.C14H16N3.8BrH.4Fe.4Ni/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;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-2-8-15(18-10-3-4-11-18)14(7-1)17-12-13-6-5-9-16-13;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;1-17(2)11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13;;;;;;;;;;;;;;;;/h4*1-25,31-35H;2-13H,1H3;1-12H;1-10H;3-10H,11H2,1-2H3;8*1H;;;;;;;;/q;;;;4*-1;;;;;;;;;;;;;4*+3/p-8/b;;;;20-13+;17-12+;17-10+;16-10+
• InChIKey: PAINKANJVDSMHU-WNUGCYFFSA-F
• XLogP: 55.07
• TPSA: 136.13 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 33
• Heavy Atoms: 229
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3856.05
LogP ≤ 5	55.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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)?

The IUPAC name of 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) is 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).

What is the SMILES notation for 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)?

The canonical SMILES for 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) is Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.Br[Ni+]Br.C(=N/c1cccc2cccnc12)\c1ccc[n-]1.C(=N/c1ccccc1-n1cccc1)\c1ccc[n-]1.CN(C)Cc1ccccc1/N=C/c1ccc[n-]1.COc1ccccc1-c1ccccc1/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.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,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)?

The InChIKey is PAINKANJVDSMHU-WNUGCYFFSA-F. The full InChI is InChI=1S/4C35H30.C18H15N2O.C15H12N3.C14H10N3.C14H16N3.8BrH.4Fe.4Ni/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;1-21-18-11-5-3-9-16(18)15-8-2-4-10-17(15)20-13-14-7-6-12-19-14;1-2-8-15(18-10-3-4-11-18)14(7-1)17-12-13-6-5-9-16-13;1-4-11-5-2-9-16-14(11)13(7-1)17-10-12-6-3-8-15-12;1-17(2)11-12-6-3-4-8-14(12)16-10-13-7-5-9-15-13;;;;;;;;;;;;;;;;/h4*1-25,31-35H;2-13H,1H3;1-12H;1-10H;3-10H,11H2,1-2H3;8*1H;;;;;;;;/q;;;;4*-1;;;;;;;;;;;;;4*+3/p-8/b;;;;20-13+;17-12+;17-10+;16-10+;;;;;;;;;;;;;;;;.

What are the key properties of 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)?

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) has a molecular weight of 3856.05 g/mol, XLogP of 55.07, 33 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 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) is sourced from PubChem (CID 162274729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).