zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol

C66H96N4OZn — CID 15975457

IUPACzinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol
SMILESCCCCCCC(CCCCCC)c1c2nc(c(-c3ccc(CO)cc3)c3nc(c(C(CCCCCC)CCCCCC)c4ccc([n-]4)c(C(CCCCCC)CCCCCC)c4ccc1[n-]4)C=C3)C=C2.[Zn+2]
InChIInChI=1S/C66H96N4O.Zn/c1-7-13-19-25-31-51(32-26-20-14-8-2)63-55-41-43-57(67-55)64(52(33-27-21-15-9-3)34-28-22-16-10-4)59-45-47-61(69-59)66(54-39-37-50(49-71)38-40-54)62-48-46-60(70-62)65(58-44-42-56(63)68-58)53(35-29-23-17-11-5)36-30-24-18-12-6;/h37-48,51-53,71H,7-36,49H2,1-6H3;/q-2;+2/b63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-;
InChIKeyVTCHXHWHQUDKBY-OJYREOQRSA-N
MW1026.91 g/mol
LogP20.14
Rot. Bonds35

About zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol

zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol (PubChem CID 15975457) has the molecular formula C66H96N4OZn and a molecular weight of 1026.91 g/mol. Its IUPAC name is zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol.

Molecular Properties

Compound Namezinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol
PubChem CID15975457
Molecular FormulaC66H96N4OZn
Molecular Weight1026.91 g/mol
Exact Mass1024.69
IUPAC Namezinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol
SMILESCCCCCCC(CCCCCC)c1c2nc(c(-c3ccc(CO)cc3)c3nc(c(C(CCCCCC)CCCCCC)c4ccc([n-]4)c(C(CCCCCC)CCCCCC)c4ccc1[n-]4)C=C3)C=C2.[Zn+2]
InChIInChI=1S/C66H96N4O.Zn/c1-7-13-19-25-31-51(32-26-20-14-8-2)63-55-41-43-57(67-55)64(52(33-27-21-15-9-3)34-28-22-16-10-4)59-45-47-61(69-59)66(54-39-37-50(49-71)38-40-54)62-48-46-60(70-62)65(58-44-42-56(63)68-58)53(35-29-23-17-11-5)36-30-24-18-12-6;/h37-48,51-53,71H,7-36,49H2,1-6H3;/q-2;+2/b63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-;
InChIKeyVTCHXHWHQUDKBY-OJYREOQRSA-N
XLogP20.14
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds35
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001026.91
LogP ≤ 520.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol 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

zinc 5,10,15,20-tetra(tridecan-7-yl)porphyrin-22,24-diide
CID 11159087
zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol
CID 11274195
5-(4-iodophenyl)-10,15,20-tri(tridecan-7-yl)-21,22-dihydroporphyrin
CID 16742253
[4-[4-[10,15,20-tris(4-methylphenyl)-21,23-dihydroporphyrin-5-yl]phenyl]phenyl]methanol
CID 135508187
zinc 2-[4-[10-(4-decoxyphenyl)-15,20-bis[4-[2-(dimethylamino)ethoxy]phenyl]porphyrin-22,24-diid-5-yl]phenoxy]-N,N-dimethylethanamine
CID 58261019
zinc N-(2-ethylhexyl)-4-[10,15,20-tris[4-(2-ethylhexylcarbamoyl)phenyl]porphyrin-22,24-diid-5-yl]benzamide
CID 163437681
ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 71524389
5,10,15,20-tetrakis[4-(hexadecoxymethyl)phenyl]-21,23-dihydroporphyrin
CID 170895192
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
5,10,15,20-tetrakis(4-octoxyphenyl)-21,22-dihydroporphyrin
CID 11228608
zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide
CID 11250914
zinc 5-(4-methylphenyl)-15-(4-octadecoxyphenyl)porphyrin-22,24-diide
CID 146998924

Frequently Asked Questions

What is the IUPAC name of zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol?
The IUPAC name of zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol (CID 15975457) is zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol.
What is the SMILES notation for zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol?
The canonical SMILES for zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol is CCCCCCC(CCCCCC)c1c2nc(c(-c3ccc(CO)cc3)c3nc(c(C(CCCCCC)CCCCCC)c4ccc([n-]4)c(C(CCCCCC)CCCCCC)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].
What is the InChIKey of zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol?
The InChIKey is VTCHXHWHQUDKBY-OJYREOQRSA-N. The full InChI is InChI=1S/C66H96N4O.Zn/c1-7-13-19-25-31-51(32-26-20-14-8-2)63-55-41-43-57(67-55)64(52(33-27-21-15-9-3)34-28-22-16-10-4)59-45-47-61(69-59)66(54-39-37-50(49-71)38-40-54)62-48-46-60(70-62)65(58-44-42-56(63)68-58)53(35-29-23-17-11-5)36-30-24-18-12-6;/h37-48,51-53,71H,7-36,49H2,1-6H3;/q-2;+2/b63-55-,63-56-,64-57-,64-59-,65-58-,65-60-,66-61-,66-62-;.
What are the key properties of zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol?
zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol has a molecular weight of 1026.91 g/mol, XLogP of 20.14, 35 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for zinc [4-[10,15,20-tri(tridecan-7-yl)porphyrin-23,24-diid-5-yl]phenyl]methanol is sourced from PubChem (CID 15975457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).