copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene

C25H22CuN6 — CID 58831067

IUPACcopper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene
SMILESCn1cc2nc1-c1cccc(c1)-c1nc(cn1C)-c1ccc([n-]1)C(C)(C)c1ccc-2[n-]1.[Cu+2]
InChIInChI=1S/C25H22N6.Cu/c1-25(2)21-10-8-17(26-21)19-13-30(3)23(28-19)15-6-5-7-16(12-15)24-29-20(14-31(24)4)18-9-11-22(25)27-18;/h5-14H,1-4H3;/q-2;+2
InChIKeyQBXSAAFFRRYCQH-UHFFFAOYSA-N
MW470.04 g/mol
LogP4.37
Rot. Bonds

About copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene

copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene (PubChem CID 58831067) has the molecular formula C25H22CuN6 and a molecular weight of 470.04 g/mol. Its IUPAC name is copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene.

Molecular Properties

Compound Namecopper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene
PubChem CID58831067
Molecular FormulaC25H22CuN6
Molecular Weight470.04 g/mol
Exact Mass469.12
IUPAC Namecopper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene
SMILESCn1cc2nc1-c1cccc(c1)-c1nc(cn1C)-c1ccc([n-]1)C(C)(C)c1ccc-2[n-]1.[Cu+2]
InChIInChI=1S/C25H22N6.Cu/c1-25(2)21-10-8-17(26-21)19-13-30(3)23(28-19)15-6-5-7-16(12-15)24-29-20(14-31(24)4)18-9-11-22(25)27-18;/h5-14H,1-4H3;/q-2;+2
InChIKeyQBXSAAFFRRYCQH-UHFFFAOYSA-N
XLogP4.37
TPSA63.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.04
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene?
The IUPAC name of copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene (CID 58831067) is copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene.
What is the SMILES notation for copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene?
The canonical SMILES for copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene is Cn1cc2nc1-c1cccc(c1)-c1nc(cn1C)-c1ccc([n-]1)C(C)(C)c1ccc-2[n-]1.[Cu+2].
What is the InChIKey of copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene?
The InChIKey is QBXSAAFFRRYCQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6.Cu/c1-25(2)21-10-8-17(26-21)19-13-30(3)23(28-19)15-6-5-7-16(12-15)24-29-20(14-31(24)4)18-9-11-22(25)27-18;/h5-14H,1-4H3;/q-2;+2.
What are the key properties of copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene?
copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene has a molecular weight of 470.04 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 3,10,10,17-tetramethyl-3,17,24,27-tetraza-25,26-diazanidahexacyclo[17.3.1.12,5.16,9.111,14.115,18]heptacosa-1(23),2(27),4,6,8,11,13,15,18(24),19,21-undecaene is sourced from PubChem (CID 58831067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).