dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine

C34H35Br2N3Ni — CID 58636369

IUPACdibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine
SMILESBr[Ni]Br.C/C(=N\c1c(C(C)C)cccc1C(C)C)c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C
InChIInChI=1S/C34H35N3.2BrH.Ni/c1-22(2)27-18-13-19-28(23(3)4)31(27)35-24(5)34-36-32-29(25-14-9-7-10-15-25)20-21-30(33(32)37(34)6)26-16-11-8-12-17-26;;;/h7-23H,1-6H3;2*1H;/q;;;+2/p-2/b35-24+;;;
InChIKeyVKHOSVYBZJPATJ-YFVOZPKESA-L
MW704.18 g/mol
LogP10.98
Rot. Bonds6

About dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine

dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine (PubChem CID 58636369) has the molecular formula C34H35Br2N3Ni and a molecular weight of 704.18 g/mol. Its IUPAC name is dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine.

Molecular Properties

Compound Namedibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine
PubChem CID58636369
Molecular FormulaC34H35Br2N3Ni
Molecular Weight704.18 g/mol
Exact Mass701.06
IUPAC Namedibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine
SMILESBr[Ni]Br.C/C(=N\c1c(C(C)C)cccc1C(C)C)c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C
InChIInChI=1S/C34H35N3.2BrH.Ni/c1-22(2)27-18-13-19-28(23(3)4)31(27)35-24(5)34-36-32-29(25-14-9-7-10-15-25)20-21-30(33(32)37(34)6)26-16-11-8-12-17-26;;;/h7-23H,1-6H3;2*1H;/q;;;+2/p-2/b35-24+;;;
InChIKeyVKHOSVYBZJPATJ-YFVOZPKESA-L
XLogP10.98
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.18
LogP ≤ 510.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine?
The IUPAC name of dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine (CID 58636369) is dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine.
What is the SMILES notation for dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine?
The canonical SMILES for dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine is Br[Ni]Br.C/C(=N\c1c(C(C)C)cccc1C(C)C)c1nc2c(-c3ccccc3)ccc(-c3ccccc3)c2n1C.
What is the InChIKey of dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine?
The InChIKey is VKHOSVYBZJPATJ-YFVOZPKESA-L. The full InChI is InChI=1S/C34H35N3.2BrH.Ni/c1-22(2)27-18-13-19-28(23(3)4)31(27)35-24(5)34-36-32-29(25-14-9-7-10-15-25)20-21-30(33(32)37(34)6)26-16-11-8-12-17-26;;;/h7-23H,1-6H3;2*1H;/q;;;+2/p-2/b35-24+;;;.
What are the key properties of dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine?
dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine has a molecular weight of 704.18 g/mol, XLogP of 10.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dibromonickel;N-[2,6-di(propan-2-yl)phenyl]-1-(1-methyl-4,7-diphenylbenzimidazol-2-yl)ethanimine is sourced from PubChem (CID 58636369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).