copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one

C45H26CuN4O — CID 15540552

IUPACcopper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one
SMILESO=C1C2=Cc3nc2c(c2ccc([n-]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([n-]4)c3-c3ccccc3)C=C2)-c2ccccc21.[Cu+2]
InChIInChI=1S/C45H27N4O.Cu/c50-45-31-19-11-10-18-30(31)43-38-25-24-36(48-38)41(28-14-6-2-7-15-28)34-21-20-33(46-34)40(27-12-4-1-5-13-27)35-22-23-37(47-35)42(29-16-8-3-9-17-29)39-26-32(45)44(43)49-39;/h1-26H,(H-,46,47,48,49,50);/q-1;+2/p-1/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-;
InChIKeyPSBYGHWBNUHYLN-YLWROZOSSA-M
MW702.28 g/mol
LogP10.15
Rot. Bonds3

About copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one

copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one (PubChem CID 15540552) has the molecular formula C45H26CuN4O and a molecular weight of 702.28 g/mol. Its IUPAC name is copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one.

Molecular Properties

Compound Namecopper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one
PubChem CID15540552
Molecular FormulaC45H26CuN4O
Molecular Weight702.28 g/mol
Exact Mass701.14
IUPAC Namecopper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one
SMILESO=C1C2=Cc3nc2c(c2ccc([n-]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([n-]4)c3-c3ccccc3)C=C2)-c2ccccc21.[Cu+2]
InChIInChI=1S/C45H27N4O.Cu/c50-45-31-19-11-10-18-30(31)43-38-25-24-36(48-38)41(28-14-6-2-7-15-28)34-21-20-33(46-34)40(27-12-4-1-5-13-27)35-22-23-37(47-35)42(29-16-8-3-9-17-29)39-26-32(45)44(43)49-39;/h1-26H,(H-,46,47,48,49,50);/q-1;+2/p-1/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-;
InChIKeyPSBYGHWBNUHYLN-YLWROZOSSA-M
XLogP10.15
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.28
LogP ≤ 510.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one 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 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one?
The IUPAC name of copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one (CID 15540552) is copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one.
What is the SMILES notation for copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one?
The canonical SMILES for copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one is O=C1C2=Cc3nc2c(c2ccc([n-]2)c(-c2ccccc2)c2nc(c(-c4ccccc4)c4ccc([n-]4)c3-c3ccccc3)C=C2)-c2ccccc21.[Cu+2].
What is the InChIKey of copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one?
The InChIKey is PSBYGHWBNUHYLN-YLWROZOSSA-M. The full InChI is InChI=1S/C45H27N4O.Cu/c50-45-31-19-11-10-18-30(31)43-38-25-24-36(48-38)41(28-14-6-2-7-15-28)34-21-20-33(46-34)40(27-12-4-1-5-13-27)35-22-23-37(47-35)42(29-16-8-3-9-17-29)39-26-32(45)44(43)49-39;/h1-26H,(H-,46,47,48,49,50);/q-1;+2/p-1/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-;.
What are the key properties of copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one?
copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one has a molecular weight of 702.28 g/mol, XLogP of 10.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper 14,19,24-triphenyl-12,29-diaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3,5,7,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaen-9-one is sourced from PubChem (CID 15540552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).