copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide

C47H52CuN6 — CID 153288650

IUPACcopper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.CC1(C)c2ccccc2-c2cc3nc(-c4cnccn4)[n-]c3cc21.[Cu+2]
InChIInChI=1S/C27H37N2.C20H15N4.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-20(2)14-6-4-3-5-12(14)13-9-16-17(10-15(13)20)24-19(23-16)18-11-21-7-8-22-18;/h9-21H,1-8H3;3-11H,1-2H3;/q2*-1;+2
InChIKeyNCCNEESVLVQERF-UHFFFAOYSA-N
MW764.52 g/mol
LogP12.05
Rot. Bonds7

About copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide

copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide (PubChem CID 153288650) has the molecular formula C47H52CuN6 and a molecular weight of 764.52 g/mol. Its IUPAC name is copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide.

Molecular Properties

Compound Namecopper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide
PubChem CID153288650
Molecular FormulaC47H52CuN6
Molecular Weight764.52 g/mol
Exact Mass763.35
IUPAC Namecopper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide
SMILESCC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.CC1(C)c2ccccc2-c2cc3nc(-c4cnccn4)[n-]c3cc21.[Cu+2]
InChIInChI=1S/C27H37N2.C20H15N4.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-20(2)14-6-4-3-5-12(14)13-9-16-17(10-15(13)20)24-19(23-16)18-11-21-7-8-22-18;/h9-21H,1-8H3;3-11H,1-2H3;/q2*-1;+2
InChIKeyNCCNEESVLVQERF-UHFFFAOYSA-N
XLogP12.05
TPSA59.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.52
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(9,9-dimethylfluoren-2-yl)-9-pyrazin-2-yl-1,10-phenanthroline
CID 134167303
CID 172510642
CID 172510642
8-[1-[2,6-di(propan-2-yl)phenyl]-3-methylbenzimidazol-3-ium-2-yl]-5,5,7-trimethylindeno[1,2-c]pyridine
CID 123143746
2-(2-methoxy-3-propan-2-ylphenyl)-9,9-dimethylfluorene
CID 70894853
2-[10-(9,9-dimethylfluoren-3-yl)-3-naphthalen-1-ylanthracen-9-yl]pyrazine
CID 59196063
2-[3-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 146632536
2-(9,9-dimethylfluoren-3-yl)-1,7-naphthyridine
CID 155623955
2-(9,9-dimethylfluoren-2-yl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 58273805
1-(benzimidazol-1-id-2-yl)isoquinoline;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;gold
CID 153288659
copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;2-pyridin-2-ylbenzo[e]benzimidazol-3-ide
CID 153288674
4-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 146632435
2-(9,9-dimethylfluoren-1-yl)-4-methylpyridine
CID 156655026

Frequently Asked Questions

What is the IUPAC name of copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide?
The IUPAC name of copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide (CID 153288650) is copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide.
What is the SMILES notation for copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide?
The canonical SMILES for copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide is CC(C)c1cccc(C(C)C)c1N1C=CN(c2c(C(C)C)cccc2C(C)C)[CH-]1.CC1(C)c2ccccc2-c2cc3nc(-c4cnccn4)[n-]c3cc21.[Cu+2].
What is the InChIKey of copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide?
The InChIKey is NCCNEESVLVQERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N2.C20H15N4.Cu/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8;1-20(2)14-6-4-3-5-12(14)13-9-16-17(10-15(13)20)24-19(23-16)18-11-21-7-8-22-18;/h9-21H,1-8H3;3-11H,1-2H3;/q2*-1;+2.
What are the key properties of copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide?
copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide has a molecular weight of 764.52 g/mol, XLogP of 12.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;9,9-dimethyl-2-pyrazin-2-ylindeno[1,2-f]benzimidazol-1-ide is sourced from PubChem (CID 153288650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).