copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol

C44H27Cl3CuN4O — CID 175008074

IUPACcopper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol
SMILESOc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cu]
InChIInChI=1S/C44H27Cl3N4O.Cu/c45-29-9-1-25(2-10-29)41-33-17-19-35(48-33)42(26-3-11-30(46)12-4-26)37-21-23-39(50-37)44(28-7-15-32(52)16-8-28)40-24-22-38(51-40)43(36-20-18-34(41)49-36)27-5-13-31(47)14-6-27;/h1-24,48,51-52H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyDZVHTSSAODEXQE-DAJBKUBHSA-N
MW797.63 g/mol
LogP12.99
Rot. Bonds4

About copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol

copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol (PubChem CID 175008074) has the molecular formula C44H27Cl3CuN4O and a molecular weight of 797.63 g/mol. Its IUPAC name is copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol.

Molecular Properties

Compound Namecopper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol
PubChem CID175008074
Molecular FormulaC44H27Cl3CuN4O
Molecular Weight797.63 g/mol
Exact Mass795.05
IUPAC Namecopper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol
SMILESOc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cu]
InChIInChI=1S/C44H27Cl3N4O.Cu/c45-29-9-1-25(2-10-29)41-33-17-19-35(48-33)42(26-3-11-30(46)12-4-26)37-21-23-39(50-37)44(28-7-15-32(52)16-8-28)40-24-22-38(51-40)43(36-20-18-34(41)49-36)27-5-13-31(47)14-6-27;/h1-24,48,51-52H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;
InChIKeyDZVHTSSAODEXQE-DAJBKUBHSA-N
XLogP12.99
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.63
LogP ≤ 512.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

platinum;4-[10,15,20-tris(4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 159589008
copper;5,10,15,20-tetrakis(3,5-dichlorophenyl)-21,23-dihydroporphyrin
CID 174944569
4-[10,15,20-tris(4-bromophenyl)-21,23-dihydroporphyrin-5-yl]phenol;zinc
CID 175076695
iron;4-[10,15,20-tris(4-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 175729519
5-[10,15-bis(3,5-dihydroxyphenyl)-23,24-dihydro-22H-corrin-5-yl]benzene-1,3-diol
CID 136714961
copper;4-[10,15,20-tris(4-aminophenyl)-21,23-dihydroporphyrin-5-yl]aniline
CID 170158211
[4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenyl] prop-2-enoate
CID 136803781
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
2,6-difluoro-4-[10,15,20-tris(3,5-difluoro-4-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
CID 135469238
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

Frequently Asked Questions

What is the IUPAC name of copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The IUPAC name of copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol (CID 175008074) is copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol.
What is the SMILES notation for copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The canonical SMILES for copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol is Oc1ccc(-c2c3nc(c(-c4ccc(Cl)cc4)c4ccc([nH]4)c(-c4ccc(Cl)cc4)c4nc(c(-c5ccc(Cl)cc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Cu].
What is the InChIKey of copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol?
The InChIKey is DZVHTSSAODEXQE-DAJBKUBHSA-N. The full InChI is InChI=1S/C44H27Cl3N4O.Cu/c45-29-9-1-25(2-10-29)41-33-17-19-35(48-33)42(26-3-11-30(46)12-4-26)37-21-23-39(50-37)44(28-7-15-32(52)16-8-28)40-24-22-38(51-40)43(36-20-18-34(41)49-36)27-5-13-31(47)14-6-27;/h1-24,48,51-52H;/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;.
What are the key properties of copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol?
copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol has a molecular weight of 797.63 g/mol, XLogP of 12.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;4-[10,15,20-tris(4-chlorophenyl)-21,23-dihydroporphyrin-5-yl]phenol is sourced from PubChem (CID 175008074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).