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

C32H23ClN6O6 — CID 172781055

IUPAC4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(C2=c3ccc([nH]3)=Cc3ccc([nH]3)C=c3ccc([nH]3)=C(c3ccc(O)c([N+](=O)[O-])c3)c3ccc2[nH]3)ccc1O
InChIInChI=1S/C32H22N6O6.ClH/c39-29-11-1-17(13-27(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)18-2-12-30(40)28(14-18)38(43)44;/h1-16,33-36,39-40H;1H
InChIKeyYOGOZLOGUZZSKR-UHFFFAOYSA-N
MW623.03 g/mol
LogP3.11
Rot. Bonds4

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

4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride (PubChem CID 172781055) has the molecular formula C32H23ClN6O6 and a molecular weight of 623.03 g/mol. Its IUPAC name is 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride.

Molecular Properties

Compound Name4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride
PubChem CID172781055
Molecular FormulaC32H23ClN6O6
Molecular Weight623.03 g/mol
Exact Mass622.14
IUPAC Name4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride
SMILESCl.O=[N+]([O-])c1cc(C2=c3ccc([nH]3)=Cc3ccc([nH]3)C=c3ccc([nH]3)=C(c3ccc(O)c([N+](=O)[O-])c3)c3ccc2[nH]3)ccc1O
InChIInChI=1S/C32H22N6O6.ClH/c39-29-11-1-17(13-27(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)18-2-12-30(40)28(14-18)38(43)44;/h1-16,33-36,39-40H;1H
InChIKeyYOGOZLOGUZZSKR-UHFFFAOYSA-N
XLogP3.11
TPSA189.90 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.03
LogP ≤ 53.11
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'}

Analyze 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride 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-[10-(3-hydroxy-4-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol
CID 54545974
2-nitro-4-phenylphenol
CID 13447
ethane;2-nitro-4-phenylphenol
CID 142062484
4-(4-amino-3-nitrophenyl)-2-nitrophenol
CID 91740397
4-(3,4-difluorophenyl)-2-nitrophenol
CID 53221636
tert-butyl N-[4-[10,20-bis(2,4,6-trimethylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]carbamate
CID 90687233
4-(4-hydroxy-3-nitrophenyl)benzaldehyde
CID 53221610
6-(4-hydroxy-3-nitrophenyl)naphthalen-2-ol
CID 71089393
3,4-bis(4-hydroxy-3-nitrophenyl)-5-nitroso-1H-pyrrol-2-ol
CID 135936862
2-(21,22,23,24-tetrahydroporphyrin-5-yl)benzoic acid
CID 91223225
4-methyl-2-nitrophenol;4-methylphenol
CID 21439085
4-(furan-2-yl)-2-nitrophenol
CID 53221595

Frequently Asked Questions

What is the IUPAC name of 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride?
The IUPAC name of 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride (CID 172781055) is 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride.
What is the SMILES notation for 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride?
The canonical SMILES for 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride is Cl.O=[N+]([O-])c1cc(C2=c3ccc([nH]3)=Cc3ccc([nH]3)C=c3ccc([nH]3)=C(c3ccc(O)c([N+](=O)[O-])c3)c3ccc2[nH]3)ccc1O.
What is the InChIKey of 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride?
The InChIKey is YOGOZLOGUZZSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N6O6.ClH/c39-29-11-1-17(13-27(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)18-2-12-30(40)28(14-18)38(43)44;/h1-16,33-36,39-40H;1H.
What are the key properties of 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride?
4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride has a molecular weight of 623.03 g/mol, XLogP of 3.11, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(4-hydroxy-3-nitrophenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]-2-nitrophenol;hydrochloride is sourced from PubChem (CID 172781055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).