ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide

C50H41N4ORh — CID 71524389

IUPACethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[CH2-]CO.[Rh+3]
InChIInChI=1S/C48H36N4.C2H5O.Rh/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;1-2-3;/h5-28H,1-4H3;3H,1-2H2;/q-2;-1;+3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;;
InChIKeyQAUVVGDUIMZSSH-HTMHXADGSA-N
MW816.81 g/mol
LogP11.63
Rot. Bonds4

About ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide

ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide (PubChem CID 71524389) has the molecular formula C50H41N4ORh and a molecular weight of 816.81 g/mol. Its IUPAC name is ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide.

Molecular Properties

Compound Nameethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
PubChem CID71524389
Molecular FormulaC50H41N4ORh
Molecular Weight816.81 g/mol
Exact Mass816.23
IUPAC Nameethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
SMILESCc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[CH2-]CO.[Rh+3]
InChIInChI=1S/C48H36N4.C2H5O.Rh/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;1-2-3;/h5-28H,1-4H3;3H,1-2H2;/q-2;-1;+3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;;
InChIKeyQAUVVGDUIMZSSH-HTMHXADGSA-N
XLogP11.63
TPSA74.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.81
LogP ≤ 511.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethanol;bis(ruthenium(2+));bis(5,10,15,20-tetraphenylporphyrin-22,24-diide);hydrate
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CID 11250914
1,2-bis(4-chlorophenyl)ethane-1,2-diol;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide;titanium(2+)
CID 11251694
copper 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
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nickel(2+);[4-[10,15,20-tris[1-(hydroxymethyl)pyridin-1-ium-4-yl]porphyrin-22,24-diid-5-yl]pyridin-1-ium-1-yl]methanol
CID 4985061
nickel(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073187
copper 5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073185
copper 4-[10,15,20-tris(4-aminophenyl)porphyrin-22,24-diid-5-yl]aniline
CID 154728535
cobalt(2+);5,10,15-tris(4-methylphenyl)-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide
CID 11686535

Frequently Asked Questions

What is the IUPAC name of ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide?
The IUPAC name of ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide (CID 71524389) is ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide.
What is the SMILES notation for ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide?
The canonical SMILES for ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide is Cc1ccc(-c2c3nc(c(-c4ccc(C)cc4)c4ccc([n-]4)c(-c4ccc(C)cc4)c4nc(c(-c5ccc(C)cc5)c5ccc2[n-]5)C=C4)C=C3)cc1.[CH2-]CO.[Rh+3].
What is the InChIKey of ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide?
The InChIKey is QAUVVGDUIMZSSH-HTMHXADGSA-N. The full InChI is InChI=1S/C48H36N4.C2H5O.Rh/c1-29-5-13-33(14-6-29)45-37-21-23-39(49-37)46(34-15-7-30(2)8-16-34)41-25-27-43(51-41)48(36-19-11-32(4)12-20-36)44-28-26-42(52-44)47(40-24-22-38(45)50-40)35-17-9-31(3)10-18-35;1-2-3;/h5-28H,1-4H3;3H,1-2H2;/q-2;-1;+3/b45-37-,45-38-,46-39-,46-41-,47-40-,47-42-,48-43-,48-44-;;.
What are the key properties of ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide?
ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide has a molecular weight of 816.81 g/mol, XLogP of 11.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide is sourced from PubChem (CID 71524389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).