chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride

C44H36Cl5CoN8 — CID 156593647

IUPACchlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride
SMILESC[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([n-]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.Cl[Co+2].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C44H36N8.5ClH.Co/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;;;;;/h5-28H,1-4H3;5*1H;/q+2;;;;;;+3/p-5
InChIKeyVUUMPJOWGXPZCT-UHFFFAOYSA-I
MW913.03 g/mol
LogP-5.42
Rot. Bonds4

About chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride

chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride (PubChem CID 156593647) has the molecular formula C44H36Cl5CoN8 and a molecular weight of 913.03 g/mol. Its IUPAC name is chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride.

Molecular Properties

Compound Namechlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride
PubChem CID156593647
Molecular FormulaC44H36Cl5CoN8
Molecular Weight913.03 g/mol
Exact Mass910.08
IUPAC Namechlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride
SMILESC[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([n-]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.Cl[Co+2].[Cl-].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/C44H36N8.5ClH.Co/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;;;;;/h5-28H,1-4H3;5*1H;/q+2;;;;;;+3/p-5
InChIKeyVUUMPJOWGXPZCT-UHFFFAOYSA-I
XLogP-5.42
TPSA69.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500913.03
LogP ≤ 5-5.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride?
The IUPAC name of chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride (CID 156593647) is chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride.
What is the SMILES notation for chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride?
The canonical SMILES for chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride is C[n+]1ccc(-c2c3nc(c(-c4cc[n+](C)cc4)c4ccc([n-]4)c(-c4cc[n+](C)cc4)c4nc(c(-c5cc[n+](C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.Cl[Co+2].[Cl-].[Cl-].[Cl-].[Cl-].
What is the InChIKey of chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride?
The InChIKey is VUUMPJOWGXPZCT-UHFFFAOYSA-I. The full InChI is InChI=1S/C44H36N8.5ClH.Co/c1-49-21-13-29(14-22-49)41-33-5-7-35(45-33)42(30-15-23-50(2)24-16-30)37-9-11-39(47-37)44(32-19-27-52(4)28-20-32)40-12-10-38(48-40)43(36-8-6-34(41)46-36)31-17-25-51(3)26-18-31;;;;;;/h5-28H,1-4H3;5*1H;/q+2;;;;;;+3/p-5.
What are the key properties of chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride?
chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride has a molecular weight of 913.03 g/mol, XLogP of -5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorocobalt(2+);5,10,15,20-tetrakis(1-methylpyridin-1-ium-4-yl)porphyrin-22,24-diide;tetrachloride is sourced from PubChem (CID 156593647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).