copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene

C50H26CuF6N4O2 — CID 56655308

IUPACcopper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene
SMILESCOc1ccc2c3c4nc(c(-c5cc(F)cc(F)c5)c5ccc([n-]5)c(-c5cc(F)cc(F)c5)c5nc(c(-c6cc(F)cc(F)c6)c6cc(c3[n-]6)c3c(OC)ccc1c23)C=C5)C=C4.[Cu+2]
InChIInChI=1S/C50H26F6N4O2.Cu/c1-61-42-11-4-33-47-32(42)3-12-43(62-2)49(47)34-22-41-46(25-17-30(55)21-31(56)18-25)39-8-7-37(58-39)44(23-13-26(51)19-27(52)14-23)35-5-6-36(57-35)45(24-15-28(53)20-29(54)16-24)38-9-10-40(59-38)48(33)50(34)60-41;/h3-22H,1-2H3;/q-2;+2/b44-35+,44-37+,45-36-,45-38+,46-39-,46-41-,48-40+;
InChIKeyFUZKODLNLULQHC-MYMZWGOMSA-N
MW892.32 g/mol
LogP12.66
Rot. Bonds5

About copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene

copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene (PubChem CID 56655308) has the molecular formula C50H26CuF6N4O2 and a molecular weight of 892.32 g/mol. Its IUPAC name is copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene.

Molecular Properties

Compound Namecopper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene
PubChem CID56655308
Molecular FormulaC50H26CuF6N4O2
Molecular Weight892.32 g/mol
Exact Mass891.13
IUPAC Namecopper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene
SMILESCOc1ccc2c3c4nc(c(-c5cc(F)cc(F)c5)c5ccc([n-]5)c(-c5cc(F)cc(F)c5)c5nc(c(-c6cc(F)cc(F)c6)c6cc(c3[n-]6)c3c(OC)ccc1c23)C=C5)C=C4.[Cu+2]
InChIInChI=1S/C50H26F6N4O2.Cu/c1-61-42-11-4-33-47-32(42)3-12-43(62-2)49(47)34-22-41-46(25-17-30(55)21-31(56)18-25)39-8-7-37(58-39)44(23-13-26(51)19-27(52)14-23)35-5-6-36(57-35)45(24-15-28(53)20-29(54)16-24)38-9-10-40(59-38)48(33)50(34)60-41;/h3-22H,1-2H3;/q-2;+2/b44-35+,44-37+,45-36-,45-38+,46-39-,46-41-,48-40+;
InChIKeyFUZKODLNLULQHC-MYMZWGOMSA-N
XLogP12.66
TPSA72.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.32
LogP ≤ 512.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene with MolForge

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

Launch Full Analysis

Related Compounds

25,29-dimethoxy-6,11,16-tris(2,4,6-trimethylphenyl)-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene;nickel(2+)
CID 56655306
oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide
CID 6321152
copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide
CID 23649563
zinc 4-[10,15,20-tris(3,4,5-trimethoxyphenyl)porphyrin-22,24-diid-5-yl]benzoic acid
CID 58019362
chlorocobalt(2+);5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 155720992
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
cobalt(3+);cyclohexane;5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 11125783
copper 4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline
CID 154728535
copper 5,10,15-tris(3,5-ditert-butylphenyl)-20-(4-iodophenyl)porphyrin-21,23-diid-2-ol
CID 135433686
6-methoxy-14,19,24-tris(4-methoxyphenyl)-9,12,29-triaza-28,30-diazanidaheptacyclo[23.2.1.110,13.115,18.120,23.02,11.03,8]hentriaconta-1,3(8),4,6,10(31),11,13,15,17,19,21,23(29),24,26-tetradecaene;nickel(2+)
CID 135524213
dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide
CID 146020193
nickel(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073187

Frequently Asked Questions

What is the IUPAC name of copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene?
The IUPAC name of copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene (CID 56655308) is copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene.
What is the SMILES notation for copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene?
The canonical SMILES for copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene is COc1ccc2c3c4nc(c(-c5cc(F)cc(F)c5)c5ccc([n-]5)c(-c5cc(F)cc(F)c5)c5nc(c(-c6cc(F)cc(F)c6)c6cc(c3[n-]6)c3c(OC)ccc1c23)C=C5)C=C4.[Cu+2].
What is the InChIKey of copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene?
The InChIKey is FUZKODLNLULQHC-MYMZWGOMSA-N. The full InChI is InChI=1S/C50H26F6N4O2.Cu/c1-61-42-11-4-33-47-32(42)3-12-43(62-2)49(47)34-22-41-46(25-17-30(55)21-31(56)18-25)39-8-7-37(58-39)44(23-13-26(51)19-27(52)14-23)35-5-6-36(57-35)45(24-15-28(53)20-29(54)16-24)38-9-10-40(59-38)48(33)50(34)60-41;/h3-22H,1-2H3;/q-2;+2/b44-35+,44-37+,45-36-,45-38+,46-39-,46-41-,48-40+;.
What are the key properties of copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene?
copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene has a molecular weight of 892.32 g/mol, XLogP of 12.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper 6,11,16-tris(3,5-difluorophenyl)-25,29-dimethoxy-31,33-diaza-4,32-diazanidaoctacyclo[20.7.1.12,5.17,10.112,15.117,20.03,21.026,30]tetratriaconta-1(29),2,5(34),6,8,10(33),11,13,15,17(31),18,20,22(30),23,25,27-hexadecaene is sourced from PubChem (CID 56655308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).