copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate

C52H34CuN4O4 — CID 73209506

About copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate

copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate (PubChem CID 73209506) has the molecular formula C52H34CuN4O4 and a molecular weight of 842.41 g/mol. Its IUPAC name is copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate.

Molecular Properties

• Compound Name: copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate
• PubChem CID: 73209506
• Molecular Formula: C52H34CuN4O4
• Molecular Weight: 842.41 g/mol
• Exact Mass: 841.19
• IUPAC Name: copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate
• SMILES: COC([O-])=c1cc2c(cc1=C([O-])OC)/C1=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C2=N1)C=C5)C=C4)C=C3.[Cu+2]
• InChI: InChI=1S/C52H36N4O4.Cu/c1-59-51(57)37-29-35-36(30-38(37)52(58)60-2)50-48(34-21-13-6-14-22-34)44-28-26-42(55-44)46(32-17-9-4-10-18-32)40-24-23-39(53-40)45(31-15-7-3-8-16-31)41-25-27-43(54-41)47(49(35)56-50)33-19-11-5-12-20-33;/h3-30,57-58H,1-2H3;/q;+2/p-2/b45-39-,45-41-,46-40-,46-42-,47-43-,48-44-,49-47-,50-48-,51-37?,52-38?
• InChIKey: ZFPWAMJVEPKURL-FRKBCXABSA-L
• XLogP: 6.78
• TPSA: 114.02 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	842.41
LogP ≤ 5	6.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate?

The IUPAC name of copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate (CID 73209506) is copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate.

What is the SMILES notation for copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate?

The canonical SMILES for copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate is COC([O-])=c1cc2c(cc1=C([O-])OC)/C1=C(\c3ccccc3)C3=N/C(=C(/c4ccccc4)C4=N/C(=C(/c5ccccc5)C5=N/C(=C(/c6ccccc6)C2=N1)C=C5)C=C4)C=C3.[Cu+2].

What is the InChIKey of copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate?

The InChIKey is ZFPWAMJVEPKURL-FRKBCXABSA-L. The full InChI is InChI=1S/C52H36N4O4.Cu/c1-59-51(57)37-29-35-36(30-38(37)52(58)60-2)50-48(34-21-13-6-14-22-34)44-28-26-42(55-44)46(32-17-9-4-10-18-32)40-24-23-39(53-40)45(31-15-7-3-8-16-31)41-25-27-43(54-41)47(49(35)56-50)33-19-11-5-12-20-33;/h3-30,57-58H,1-2H3;/q;+2/p-2/b45-39-,45-41-,46-40-,46-42-,47-43-,48-44-,49-47-,50-48-,51-37?,52-38?;.

What are the key properties of copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate?

copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate has a molecular weight of 842.41 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for copper methoxy-[22-[methoxy(oxido)methylidene]-2,7,12,17-tetraphenyl-25,26,27,28-tetrazahexacyclo[16.6.1.13,6.18,11.113,16.019,24]octacosa-1(25),2,4,6(28),7,9,11(27),12,14,16(26),17,19,23-tridecaen-21-ylidene]methanolate is sourced from PubChem (CID 73209506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).