iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin

C48H38FeN4O4 — CID 175061750

IUPACiron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3OC)c3nc(c(-c4ccccc4OC)c4ccc1[nH]4)C=C3)C=C2.[Fe]
InChIInChI=1S/C48H38N4O4.Fe/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3;/h5-28,49,52H,1-4H3;/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-;
InChIKeyDUIBCUPFIGOJRI-LPXWNWKISA-N
MW790.70 g/mol
LogP11.36
Rot. Bonds8

About iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin

iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin (PubChem CID 175061750) has the molecular formula C48H38FeN4O4 and a molecular weight of 790.70 g/mol. Its IUPAC name is iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Nameiron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
PubChem CID175061750
Molecular FormulaC48H38FeN4O4
Molecular Weight790.70 g/mol
Exact Mass790.22
IUPAC Nameiron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
SMILESCOc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3OC)c3nc(c(-c4ccccc4OC)c4ccc1[nH]4)C=C3)C=C2.[Fe]
InChIInChI=1S/C48H38N4O4.Fe/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3;/h5-28,49,52H,1-4H3;/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-;
InChIKeyDUIBCUPFIGOJRI-LPXWNWKISA-N
XLogP11.36
TPSA94.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500790.70
LogP ≤ 511.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin 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

5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136740277
5,10,15-tris(2,6-difluorophenyl)-20-(2,6-dimethoxyphenyl)-21,23-dihydroporphyrin
CID 136880995
6-(2,5-dimethoxyphenyl)-15,20-diphenyl-25-oxa-24,26,27,28-tetrazahexacyclo[19.2.1.12,5.17,10.111,14.116,19]octacosa-1,3,5,7(27),8,10,12,14,16,18,20,22-dodecaene
CID 101051653
dimethyl-[2-[10,15,20-tris(2-dimethylsulfoniophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]sulfanium
CID 136749684
CID 162310326
CID 162310326
2-(2,5-dimethoxyphenyl)-5,10,15,20-tetraphenyl-21,23-dihydroporphyrin
CID 136712274
5-(9,10-dimethoxyphenanthren-1-yl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 135443520
titanium;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 157132426
nickel;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 158282965
ethyl 3-[10,20-bis(2-methoxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoate
CID 137274662
15-(4-methoxyphenyl)-10,20-bis(4-methylphenyl)-5-phenyl-21,22-dihydroporphyrin
CID 57355028
[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine
CID 135409013

Frequently Asked Questions

What is the IUPAC name of iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin?
The IUPAC name of iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin (CID 175061750) is iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin is COc1ccccc1-c1c2nc(c(-c3ccccc3OC)c3ccc([nH]3)c(-c3ccccc3OC)c3nc(c(-c4ccccc4OC)c4ccc1[nH]4)C=C3)C=C2.[Fe].
What is the InChIKey of iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin?
The InChIKey is DUIBCUPFIGOJRI-LPXWNWKISA-N. The full InChI is InChI=1S/C48H38N4O4.Fe/c1-53-41-17-9-5-13-29(41)45-33-21-23-35(49-33)46(30-14-6-10-18-42(30)54-2)37-25-27-39(51-37)48(32-16-8-12-20-44(32)56-4)40-28-26-38(52-40)47(36-24-22-34(45)50-36)31-15-7-11-19-43(31)55-3;/h5-28,49,52H,1-4H3;/b45-33-,45-34-,46-35-,46-37-,47-36-,47-38-,48-39-,48-40-;.
What are the key properties of iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin?
iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin has a molecular weight of 790.70 g/mol, XLogP of 11.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 175061750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).