copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide

C44H30CuN7 — CID 59523916

IUPACcopper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide
SMILES[Cu+].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-n2c(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C32H22N4.C12H8N3.Cu/c1-3-13-23(14-4-1)35-29-21-11-9-19-27(29)33-31(35)25-17-7-8-18-26(25)32-34-28-20-10-12-22-30(28)36(32)24-15-5-2-6-16-24;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;/h1-22H;1-8H;/q;-1;+1
InChIKeyGWZHEWFBNBSXJP-UHFFFAOYSA-N
MW720.32 g/mol
LogP9.95
Rot. Bonds5

About copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide

copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide (PubChem CID 59523916) has the molecular formula C44H30CuN7 and a molecular weight of 720.32 g/mol. Its IUPAC name is copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide.

Molecular Properties

Compound Namecopper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide
PubChem CID59523916
Molecular FormulaC44H30CuN7
Molecular Weight720.32 g/mol
Exact Mass719.19
IUPAC Namecopper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide
SMILES[Cu+].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-n2c(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1
InChIInChI=1S/C32H22N4.C12H8N3.Cu/c1-3-13-23(14-4-1)35-29-21-11-9-19-27(29)33-31(35)25-17-7-8-18-26(25)32-34-28-20-10-12-22-30(28)36(32)24-15-5-2-6-16-24;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;/h1-22H;1-8H;/q;-1;+1
InChIKeyGWZHEWFBNBSXJP-UHFFFAOYSA-N
XLogP9.95
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500720.32
LogP ≤ 59.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide?
The IUPAC name of copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide (CID 59523916) is copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide.
What is the SMILES notation for copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide?
The canonical SMILES for copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide is [Cu+].c1ccc(-c2nc3ccccc3[n-]2)nc1.c1ccc(-n2c(-c3ccccc3-c3nc4ccccc4n3-c3ccccc3)nc3ccccc32)cc1.
What is the InChIKey of copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide?
The InChIKey is GWZHEWFBNBSXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N4.C12H8N3.Cu/c1-3-13-23(14-4-1)35-29-21-11-9-19-27(29)33-31(35)25-17-7-8-18-26(25)32-34-28-20-10-12-22-30(28)36(32)24-15-5-2-6-16-24;1-2-6-10-9(5-1)14-12(15-10)11-7-3-4-8-13-11;/h1-22H;1-8H;/q;-1;+1.
What are the key properties of copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide?
copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide has a molecular weight of 720.32 g/mol, XLogP of 9.95, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper(1+);1-phenyl-2-[2-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole;2-pyridin-2-ylbenzimidazol-1-ide is sourced from PubChem (CID 59523916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).