2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol

C56H56N4O6 — CID 53484028

IUPAC2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol
SMILESCCCCCCC1(O)c2nc(c(-c3cccc(O)c3)c3ccc([nH]3)c(-c3cccc(O)c3)c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c2-c2cccc(O)c2)C=C3)C1(O)CCCCCC
InChIInChI=1S/C56H56N4O6/c1-3-5-7-9-29-55(65)53-51(37-17-13-21-41(63)33-37)47-27-25-45(58-47)49(35-15-11-19-39(61)31-35)43-23-24-44(57-43)50(36-16-12-20-40(62)32-36)46-26-28-48(59-46)52(38-18-14-22-42(64)34-38)54(60-53)56(55,66)30-10-8-6-4-2/h11-28,31-34,58-59,61-66H,3-10,29-30H2,1-2H3/b49-43-,49-45-,50-44-,50-46-,51-47-,52-48-,53-51-,54-52-
InChIKeyBBZYPNYYJKFNPX-MTYOREHCSA-N
MW881.09 g/mol
LogP12.99
Rot. Bonds14

About 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol

2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol (PubChem CID 53484028) has the molecular formula C56H56N4O6 and a molecular weight of 881.09 g/mol. Its IUPAC name is 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol.

Molecular Properties

Compound Name2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol
PubChem CID53484028
Molecular FormulaC56H56N4O6
Molecular Weight881.09 g/mol
Exact Mass880.42
IUPAC Name2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol
SMILESCCCCCCC1(O)c2nc(c(-c3cccc(O)c3)c3ccc([nH]3)c(-c3cccc(O)c3)c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c2-c2cccc(O)c2)C=C3)C1(O)CCCCCC
InChIInChI=1S/C56H56N4O6/c1-3-5-7-9-29-55(65)53-51(37-17-13-21-41(63)33-37)47-27-25-45(58-47)49(35-15-11-19-39(61)31-35)43-23-24-44(57-43)50(36-16-12-20-40(62)32-36)46-26-28-48(59-46)52(38-18-14-22-42(64)34-38)54(60-53)56(55,66)30-10-8-6-4-2/h11-28,31-34,58-59,61-66H,3-10,29-30H2,1-2H3/b49-43-,49-45-,50-44-,50-46-,51-47-,52-48-,53-51-,54-52-
InChIKeyBBZYPNYYJKFNPX-MTYOREHCSA-N
XLogP12.99
TPSA178.74 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500881.09
LogP ≤ 512.99
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol?
The IUPAC name of 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol (CID 53484028) is 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol.
What is the SMILES notation for 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol?
The canonical SMILES for 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol is CCCCCCC1(O)c2nc(c(-c3cccc(O)c3)c3ccc([nH]3)c(-c3cccc(O)c3)c3nc(c(-c4cccc(O)c4)c4ccc([nH]4)c2-c2cccc(O)c2)C=C3)C1(O)CCCCCC.
What is the InChIKey of 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol?
The InChIKey is BBZYPNYYJKFNPX-MTYOREHCSA-N. The full InChI is InChI=1S/C56H56N4O6/c1-3-5-7-9-29-55(65)53-51(37-17-13-21-41(63)33-37)47-27-25-45(58-47)49(35-15-11-19-39(61)31-35)43-23-24-44(57-43)50(36-16-12-20-40(62)32-36)46-26-28-48(59-46)52(38-18-14-22-42(64)34-38)54(60-53)56(55,66)30-10-8-6-4-2/h11-28,31-34,58-59,61-66H,3-10,29-30H2,1-2H3/b49-43-,49-45-,50-44-,50-46-,51-47-,52-48-,53-51-,54-52-.
What are the key properties of 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol?
2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol has a molecular weight of 881.09 g/mol, XLogP of 12.99, 14 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihexyl-5,10,15,20-tetrakis(3-hydroxyphenyl)-22,24-dihydroporphyrin-2,3-diol is sourced from PubChem (CID 53484028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).