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

C46H48CuN6 — CID 153288674

IUPACcopper;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
SMILESCC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ncccc21.[Cu+2].c1ccc(-c2nc3c(ccc4ccccc43)[n-]2)nc1
InChIInChI=1S/C30H38N3.C16H10N3.Cu/c1-19(2)23-12-9-13-24(20(3)4)28(23)32-18-33(30-27(32)16-11-17-31-30)29-25(21(5)6)14-10-15-26(29)22(7)8;1-2-6-12-11(5-1)8-9-13-15(12)19-16(18-13)14-7-3-4-10-17-14;/h9-22H,1-8H3;1-10H;/q2*-1;+2
InChIKeyCORFXZZVLMBJKI-UHFFFAOYSA-N
MW748.48 g/mol
LogP12.39
Rot. Bonds7

About 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

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 (PubChem CID 153288674) has the molecular formula C46H48CuN6 and a molecular weight of 748.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecopper;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
PubChem CID153288674
Molecular FormulaC46H48CuN6
Molecular Weight748.48 g/mol
Exact Mass747.32
IUPAC Namecopper;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
SMILESCC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ncccc21.[Cu+2].c1ccc(-c2nc3c(ccc4ccccc43)[n-]2)nc1
InChIInChI=1S/C30H38N3.C16H10N3.Cu/c1-19(2)23-12-9-13-24(20(3)4)28(23)32-18-33(30-27(32)16-11-17-31-30)29-25(21(5)6)14-10-15-26(29)22(7)8;1-2-6-12-11(5-1)8-9-13-15(12)19-16(18-13)14-7-3-4-10-17-14;/h9-22H,1-8H3;1-10H;/q2*-1;+2
InChIKeyCORFXZZVLMBJKI-UHFFFAOYSA-N
XLogP12.39
TPSA59.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.48
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

tris(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridin-2-ide;1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide;gold;bis(2-isoquinolin-1-ylbenzo[e]benzimidazol-3-ide);tris(2-pyrazin-2-ylbenzimidazol-1-ide)
CID 158715237
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
2-[2,6-di(propan-2-yl)phenyl]pyridine
CID 141394538
3-methyl-2-pyridin-2-ylbenzo[e]benzimidazole;hydrochloride
CID 14011825
1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide;platinum(4+);pyrido[3,4-b]indol-9-ide
CID 155650562
benzo[h]quinoline;naphthalene
CID 175017782
ethane;methane;1-propan-2-ylnaphthalene
CID 160778548
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
2-tert-butyl-1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazo[4,5-b]pyridine
CID 171439146
2-(2-propan-2-ylphenyl)pyridine
CID 55253137
sodium;bis(1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-benzimidazol-2-ide);carbazol-9-ide;chlorogold;9H-fluorene;gold;2-methylpropan-2-olate
CID 162273315
4-(2-propan-2-ylphenyl)benzo[h]quinazoline
CID 140737642

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1cccc(C(C)C)c1N1[CH-]N(c2c(C(C)C)cccc2C(C)C)c2ncccc21.[Cu+2].c1ccc(-c2nc3c(ccc4ccccc43)[n-]2)nc1.
What is the InChIKey of 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?
The InChIKey is CORFXZZVLMBJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N3.C16H10N3.Cu/c1-19(2)23-12-9-13-24(20(3)4)28(23)32-18-33(30-27(32)16-11-17-31-30)29-25(21(5)6)14-10-15-26(29)22(7)8;1-2-6-12-11(5-1)8-9-13-15(12)19-16(18-13)14-7-3-4-10-17-14;/h9-22H,1-8H3;1-10H;/q2*-1;+2.
What are the key properties of 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?
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 has a molecular weight of 748.48 g/mol, XLogP of 12.39, 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-imidazo[4,5-b]pyridin-2-ide;2-pyridin-2-ylbenzo[e]benzimidazol-3-ide is sourced from PubChem (CID 153288674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).