copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin

C44H22Cl8CuN4 — CID 174944569

IUPACcopper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
SMILESClc1cc(Cl)cc(-c2c3nc(c(-c4cc(Cl)cc(Cl)c4)c4ccc([nH]4)c(-c4cc(Cl)cc(Cl)c4)c4nc(c(-c5cc(Cl)cc(Cl)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Cu]
InChIInChI=1S/C44H22Cl8N4.Cu/c45-25-9-21(10-26(46)17-25)41-33-1-2-34(53-33)42(22-11-27(47)18-28(48)12-22)36-5-6-38(55-36)44(24-15-31(51)20-32(52)16-24)40-8-7-39(56-40)43(37-4-3-35(41)54-37)23-13-29(49)19-30(50)14-23;/h1-20,53,56H;/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-;
InChIKeyDLKLIDQUIMYTHZ-CTPWHPEQSA-N
MW953.86 g/mol
LogP16.55
Rot. Bonds4

About copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin

copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin (PubChem CID 174944569) has the molecular formula C44H22Cl8CuN4 and a molecular weight of 953.86 g/mol. Its IUPAC name is copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Namecopper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
PubChem CID174944569
Molecular FormulaC44H22Cl8CuN4
Molecular Weight953.86 g/mol
Exact Mass948.86
IUPAC Namecopper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
SMILESClc1cc(Cl)cc(-c2c3nc(c(-c4cc(Cl)cc(Cl)c4)c4ccc([nH]4)c(-c4cc(Cl)cc(Cl)c4)c4nc(c(-c5cc(Cl)cc(Cl)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Cu]
InChIInChI=1S/C44H22Cl8N4.Cu/c45-25-9-21(10-26(46)17-25)41-33-1-2-34(53-33)42(22-11-27(47)18-28(48)12-22)36-5-6-38(55-36)44(24-15-31(51)20-32(52)16-24)40-8-7-39(56-40)43(37-4-3-35(41)54-37)23-13-29(49)19-30(50)14-23;/h1-20,53,56H;/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-;
InChIKeyDLKLIDQUIMYTHZ-CTPWHPEQSA-N
XLogP16.55
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500953.86
LogP ≤ 516.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 175008074
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CID 170158211
5,10,15-tris(4-methylphenyl)-20-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]-21,23-dihydroporphyrin
CID 102214852
5,10,15,20-tetrakis(4-iodophenyl)-21,23-dihydroporphyrin
CID 135546579
cobalt(2+);5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 175701182
iron;5,10,15,20-tetrakis(4-fluorophenyl)-21,23-dihydroporphyrin
CID 174785933
5-[10,15-bis(3,5-dihydroxyphenyl)-23,24-dihydro-22H-corrin-5-yl]benzene-1,3-diol
CID 136714961
platinum;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 159589008
nickel;5,10,15,20-tetrakis(4-methylphenyl)-21,22-dihydroporphyrin
CID 170920867
nickel;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 174749730
cobalt(2+);5,10,15,20-tetrakis(4-bromophenyl)-21,23-dihydroporphyrin
CID 175743178
5,10,15-tris(3,4,5-trifluorophenyl)-22,23-dihydro-21H-corrin
CID 136825566

Frequently Asked Questions

What is the IUPAC name of copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin?
The IUPAC name of copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin (CID 174944569) is copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin?
The canonical SMILES for copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin is Clc1cc(Cl)cc(-c2c3nc(c(-c4cc(Cl)cc(Cl)c4)c4ccc([nH]4)c(-c4cc(Cl)cc(Cl)c4)c4nc(c(-c5cc(Cl)cc(Cl)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Cu].
What is the InChIKey of copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin?
The InChIKey is DLKLIDQUIMYTHZ-CTPWHPEQSA-N. The full InChI is InChI=1S/C44H22Cl8N4.Cu/c45-25-9-21(10-26(46)17-25)41-33-1-2-34(53-33)42(22-11-27(47)18-28(48)12-22)36-5-6-38(55-36)44(24-15-31(51)20-32(52)16-24)40-8-7-39(56-40)43(37-4-3-35(41)54-37)23-13-29(49)19-30(50)14-23;/h1-20,53,56H;/b41-33-,41-35-,42-34-,42-36-,43-37-,43-39-,44-38-,44-40-;.
What are the key properties of copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin?
copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin has a molecular weight of 953.86 g/mol, XLogP of 16.55, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 174944569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).