copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide

C52H44CuN4O8 — CID 23649563

IUPACcopper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide
SMILESCOc1cccc(-c2c3nc(c(-c4cccc(OC)c4OC)c4ccc([n-]4)c(-c4cccc(OC)c4OC)c4nc(c(-c5cccc(OC)c5OC)c5ccc2[n-]5)C=C4)C=C3)c1OC.[Cu+2]
InChIInChI=1S/C52H44N4O8.Cu/c1-57-41-17-9-13-29(49(41)61-5)45-33-21-23-35(53-33)46(30-14-10-18-42(58-2)50(30)62-6)37-25-27-39(55-37)48(32-16-12-20-44(60-4)52(32)64-8)40-28-26-38(56-40)47(36-24-22-34(45)54-36)31-15-11-19-43(59-3)51(31)63-7;/h9-28H,1-8H3;/q-2;+2/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-;
InChIKeyYFHYPCSHVHZNAW-LPXWNWKISA-N
MW916.49 g/mol
LogP10.65
Rot. Bonds12

About copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide

copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide (PubChem CID 23649563) has the molecular formula C52H44CuN4O8 and a molecular weight of 916.49 g/mol. Its IUPAC name is copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide.

Molecular Properties

Compound Namecopper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide
PubChem CID23649563
Molecular FormulaC52H44CuN4O8
Molecular Weight916.49 g/mol
Exact Mass915.25
IUPAC Namecopper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide
SMILESCOc1cccc(-c2c3nc(c(-c4cccc(OC)c4OC)c4ccc([n-]4)c(-c4cccc(OC)c4OC)c4nc(c(-c5cccc(OC)c5OC)c5ccc2[n-]5)C=C4)C=C3)c1OC.[Cu+2]
InChIInChI=1S/C52H44N4O8.Cu/c1-57-41-17-9-13-29(49(41)61-5)45-33-21-23-35(53-33)46(30-14-10-18-42(58-2)50(30)62-6)37-25-27-39(55-37)48(32-16-12-20-44(60-4)52(32)64-8)40-28-26-38(56-40)47(36-24-22-34(45)54-36)31-15-11-19-43(59-3)51(31)63-7;/h9-28H,1-8H3;/q-2;+2/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-;
InChIKeyYFHYPCSHVHZNAW-LPXWNWKISA-N
XLogP10.65
TPSA127.82 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500916.49
LogP ≤ 510.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

oxovanadium(2+);5,10,15,20-tetrakis(3,4,5-trimethoxyphenyl)porphyrin-22,23-diide
CID 6321152
1,3-dichloro-2-(2,3-dimethoxyphenyl)benzene
CID 16755069
iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
CID 175061750
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
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
dizinc;5,10,15,20-tetraphenyl-2-[2-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenyl]porphyrin-21,23-diide
CID 146020193
cobalt(3+);cyclohexane;5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 11125783
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
4-(2,3-dimethoxyphenyl)-N,N-dimethylaniline
CID 173360474
2-amino-4-(2,3-dimethoxyphenyl)-6-methoxypyridine-3,5-dicarbonitrile
CID 6491041

Frequently Asked Questions

What is the IUPAC name of copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide?
The IUPAC name of copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide (CID 23649563) is copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide.
What is the SMILES notation for copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide?
The canonical SMILES for copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide is COc1cccc(-c2c3nc(c(-c4cccc(OC)c4OC)c4ccc([n-]4)c(-c4cccc(OC)c4OC)c4nc(c(-c5cccc(OC)c5OC)c5ccc2[n-]5)C=C4)C=C3)c1OC.[Cu+2].
What is the InChIKey of copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide?
The InChIKey is YFHYPCSHVHZNAW-LPXWNWKISA-N. The full InChI is InChI=1S/C52H44N4O8.Cu/c1-57-41-17-9-13-29(49(41)61-5)45-33-21-23-35(53-33)46(30-14-10-18-42(58-2)50(30)62-6)37-25-27-39(55-37)48(32-16-12-20-44(60-4)52(32)64-8)40-28-26-38(56-40)47(36-24-22-34(45)54-36)31-15-11-19-43(59-3)51(31)63-7;/h9-28H,1-8H3;/q-2;+2/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-;.
What are the key properties of copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide?
copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide has a molecular weight of 916.49 g/mol, XLogP of 10.65, 12 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for copper 5,10,15,20-tetrakis(2,3-dimethoxyphenyl)porphyrin-22,24-diide is sourced from PubChem (CID 23649563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).