5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol

C32H22N6O6 — CID 54545974

IUPAC5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(C2=c3ccc([nH]3)=C(c3ccc([N+](=O)[O-])c(O)c3)c3ccc([nH]3)C=c3ccc([nH]3)=Cc3ccc2[nH]3)cc1O
InChIInChI=1S/C32H22N6O6/c39-29-13-17(1-11-27(29)37(41)42)31-23-7-5-21(34-23)15-19-3-4-20(33-19)16-22-6-8-24(35-22)32(26-10-9-25(31)36-26)18-2-12-28(38(43)44)30(40)14-18/h1-16,33-36,39-40H
InChIKeyOUIZQVWUJYHCTN-UHFFFAOYSA-N
MW586.56 g/mol
LogP2.69
Rot. Bonds4

About 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol

5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol (PubChem CID 54545974) has the molecular formula C32H22N6O6 and a molecular weight of 586.56 g/mol. Its IUPAC name is 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol.

Molecular Properties

Compound Name5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol
PubChem CID54545974
Molecular FormulaC32H22N6O6
Molecular Weight586.56 g/mol
Exact Mass586.16
IUPAC Name5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol
SMILESO=[N+]([O-])c1ccc(C2=c3ccc([nH]3)=C(c3ccc([N+](=O)[O-])c(O)c3)c3ccc([nH]3)C=c3ccc([nH]3)=Cc3ccc2[nH]3)cc1O
InChIInChI=1S/C32H22N6O6/c39-29-13-17(1-11-27(29)37(41)42)31-23-7-5-21(34-23)15-19-3-4-20(33-19)16-22-6-8-24(35-22)32(26-10-9-25(31)36-26)18-2-12-28(38(43)44)30(40)14-18/h1-16,33-36,39-40H
InChIKeyOUIZQVWUJYHCTN-UHFFFAOYSA-N
XLogP2.69
TPSA189.90 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.56
LogP ≤ 52.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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

4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride
CID 172781055
5-(4-chlorophenyl)-2-nitrophenol
CID 165357612
2-(21,22,23,24-tetrahydroporphyrin-5-yl)benzoic acid
CID 91223225
tert-butyl N-[4-[10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]carbamate
CID 90687233
15-[4-(hydroxymethyl)phenyl]-5-(4-methylphenyl)-2,3,21,22,23,24-hexahydroporphyrin-2,3-diol
CID 91124119
2-nitro-5-sulfanylphenol
CID 57204619
mercury;21,22,23,24-tetrahydroporphyrin
CID 158242676
5-(6-chloro-7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-nitrophenol
CID 69209612
2-methyl-6-nitrophenol;5-methyl-2-nitrophenol;2-nitrophenol
CID 161096092
iron(3+);5,10,15,20-tetraphenyl-21,22,23,24-tetrahydroporphyrin;trichloride
CID 159454747
5-[2-(4-hydroxy-3-nitrophenyl)ethynyl]-2-nitrophenol
CID 139639931
3-hydroxy-N-(4-methylphenyl)-4-nitrobenzamide
CID 17411476

Frequently Asked Questions

What is the IUPAC name of 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol?
The IUPAC name of 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol (CID 54545974) is 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol.
What is the SMILES notation for 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol?
The canonical SMILES for 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol is O=[N+]([O-])c1ccc(C2=c3ccc([nH]3)=C(c3ccc([N+](=O)[O-])c(O)c3)c3ccc([nH]3)C=c3ccc([nH]3)=Cc3ccc2[nH]3)cc1O.
What is the InChIKey of 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol?
The InChIKey is OUIZQVWUJYHCTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N6O6/c39-29-13-17(1-11-27(29)37(41)42)31-23-7-5-21(34-23)15-19-3-4-20(33-19)16-22-6-8-24(35-22)32(26-10-9-25(31)36-26)18-2-12-28(38(43)44)30(40)14-18/h1-16,33-36,39-40H.
What are the key properties of 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol?
5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol has a molecular weight of 586.56 g/mol, XLogP of 2.69, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol is sourced from PubChem (CID 54545974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).