5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin

C44H23Cl6N5O2 — CID 141330423

IUPAC5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin
SMILESO=[N+]([O-])c1ccccc1-c1c2nc(c(-c3cccc(Cl)c3Cl)c3ccc([nH]3)c(-c3cccc(Cl)c3Cl)c3nc(c(-c4cccc(Cl)c4Cl)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C44H23Cl6N5O2/c45-26-10-3-7-23(42(26)48)39-31-16-14-29(51-31)38(22-6-1-2-13-37(22)55(56)57)30-15-17-32(52-30)40(24-8-4-11-27(46)43(24)49)34-19-21-36(54-34)41(35-20-18-33(39)53-35)25-9-5-12-28(47)44(25)50/h1-21,51,54H/b38-29-,38-30-,39-31-,39-33-,40-32-,40-34-,41-35-,41-36-
InChIKeyMOENHXCPJPOMJV-ALKJGGIUSA-N
MW866.42 g/mol
LogP15.15
Rot. Bonds5

About 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin

5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin (PubChem CID 141330423) has the molecular formula C44H23Cl6N5O2 and a molecular weight of 866.42 g/mol. Its IUPAC name is 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin
PubChem CID141330423
Molecular FormulaC44H23Cl6N5O2
Molecular Weight866.42 g/mol
Exact Mass863.00
IUPAC Name5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin
SMILESO=[N+]([O-])c1ccccc1-c1c2nc(c(-c3cccc(Cl)c3Cl)c3ccc([nH]3)c(-c3cccc(Cl)c3Cl)c3nc(c(-c4cccc(Cl)c4Cl)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C44H23Cl6N5O2/c45-26-10-3-7-23(42(26)48)39-31-16-14-29(51-31)38(22-6-1-2-13-37(22)55(56)57)30-15-17-32(52-30)40(24-8-4-11-27(46)43(24)49)34-19-21-36(54-34)41(35-20-18-33(39)53-35)25-9-5-12-28(47)44(25)50/h1-21,51,54H/b38-29-,38-30-,39-31-,39-33-,40-32-,40-34-,41-35-,41-36-
InChIKeyMOENHXCPJPOMJV-ALKJGGIUSA-N
XLogP15.15
TPSA100.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.42
LogP ≤ 515.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5,10,15-tris(2-nitrophenyl)-22,23-dihydro-21H-corrin
CID 136835247
4-[10,15,20-tris(2-nitrophenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 136829697
5,10,15-tris(2,6-dichlorophenyl)-20-(4-nitrophenyl)-21,23-dihydroporphyrin
CID 141330427
ruthenium(2+);5,10,15,20-tetrakis(2,6-dichlorophenyl)-21,23-dihydroporphyrin;dichloride
CID 135487438
2,7,12-tris(4-nitrophenyl)-16,17,18-triazatetracyclo[11.2.1.13,6.18,11]octadeca-1(16),2,4,6,8,10,12,14-octaene
CID 102079866
1,2-dichloro-3-[2-nitro-6-(trifluoromethyl)phenyl]benzene
CID 118995063
1-chloro-2-nitrobenzene;1-nitro-2-(2-nitrophenyl)benzene
CID 159796978
4-[10,15,20-tris(2,6-dichlorophenyl)-21,23-dihydroporphyrin-5-yl]benzenesulfonyl chloride
CID 135749835
2-[2-nitro-5-(10,15,20-triphenyl-21,22-dihydroporphyrin-5-yl)phenyl]acetonitrile
CID 11411677
CID 162310326
CID 162310326
5,10,15-tris(4-methylphenyl)-3-nitro-22,23-dihydro-21H-corrin
CID 136862430
nickel;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 158282965

Frequently Asked Questions

What is the IUPAC name of 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin (CID 141330423) is 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin is O=[N+]([O-])c1ccccc1-c1c2nc(c(-c3cccc(Cl)c3Cl)c3ccc([nH]3)c(-c3cccc(Cl)c3Cl)c3nc(c(-c4cccc(Cl)c4Cl)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin?
The InChIKey is MOENHXCPJPOMJV-ALKJGGIUSA-N. The full InChI is InChI=1S/C44H23Cl6N5O2/c45-26-10-3-7-23(42(26)48)39-31-16-14-29(51-31)38(22-6-1-2-13-37(22)55(56)57)30-15-17-32(52-30)40(24-8-4-11-27(46)43(24)49)34-19-21-36(54-34)41(35-20-18-33(39)53-35)25-9-5-12-28(47)44(25)50/h1-21,51,54H/b38-29-,38-30-,39-31-,39-33-,40-32-,40-34-,41-35-,41-36-.
What are the key properties of 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin?
5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin has a molecular weight of 866.42 g/mol, XLogP of 15.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-tris(2,3-dichlorophenyl)-20-(2-nitrophenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 141330423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).