copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine

C33H24CuN8-4 — CID 59092751

IUPACcopper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine
SMILESC/N=C1/[N-]C(/N=C2\[N-]C(/N=C3\[N-]C(/N=C4\[N-]Cc5ccccc54)c4ccccc43)c3ccccc32)c2ccccc21.[Cu]
InChIInChI=1S/C33H24N8.Cu/c1-34-27-21-12-4-5-13-22(21)29(36-27)38-31-25-16-8-9-17-26(25)33(40-31)41-32-24-15-7-6-14-23(24)30(39-32)37-28-20-11-3-2-10-19(20)18-35-28;/h2-17,29-30,33H,18H2,1H3;/q-4;
InChIKeyYOWCAVGDXFVEJB-UHFFFAOYSA-N
MW596.16 g/mol
LogP7.45
Rot. Bonds3

About copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine

copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine (PubChem CID 59092751) has the molecular formula C33H24CuN8-4 and a molecular weight of 596.16 g/mol. Its IUPAC name is copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine.

Molecular Properties

Compound Namecopper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine
PubChem CID59092751
Molecular FormulaC33H24CuN8-4
Molecular Weight596.16 g/mol
Exact Mass595.14
IUPAC Namecopper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine
SMILESC/N=C1/[N-]C(/N=C2\[N-]C(/N=C3\[N-]C(/N=C4\[N-]Cc5ccccc54)c4ccccc43)c3ccccc32)c2ccccc21.[Cu]
InChIInChI=1S/C33H24N8.Cu/c1-34-27-21-12-4-5-13-22(21)29(36-27)38-31-25-16-8-9-17-26(25)33(40-31)41-32-24-15-7-6-14-23(24)30(39-32)37-28-20-11-3-2-10-19(20)18-35-28;/h2-17,29-30,33H,18H2,1H3;/q-4;
InChIKeyYOWCAVGDXFVEJB-UHFFFAOYSA-N
XLogP7.45
TPSA105.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.16
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine?
The IUPAC name of copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine (CID 59092751) is copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine.
What is the SMILES notation for copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine?
The canonical SMILES for copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine is C/N=C1/[N-]C(/N=C2\[N-]C(/N=C3\[N-]C(/N=C4\[N-]Cc5ccccc54)c4ccccc43)c3ccccc32)c2ccccc21.[Cu].
What is the InChIKey of copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine?
The InChIKey is YOWCAVGDXFVEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N8.Cu/c1-34-27-21-12-4-5-13-22(21)29(36-27)38-31-25-16-8-9-17-26(25)33(40-31)41-32-24-15-7-6-14-23(24)30(39-32)37-28-20-11-3-2-10-19(20)18-35-28;/h2-17,29-30,33H,18H2,1H3;/q-4;.
What are the key properties of copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine?
copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine has a molecular weight of 596.16 g/mol, XLogP of 7.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;(Z)-3-[(Z)-[3-[(Z)-[3-[(Z)-3H-isoindol-2-id-1-ylideneamino]-3H-isoindol-2-id-1-ylidene]amino]-3H-isoindol-2-id-1-ylidene]amino]-N-methyl-3H-isoindol-2-id-1-imine is sourced from PubChem (CID 59092751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).