24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin

C26H22N5+ — CID 91472866

IUPAC24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin
SMILESCc1cccc[n+]1-n1c2ccc1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2
InChIInChI=1S/C26H22N5/c1-18-4-2-3-13-30(18)31-25-11-12-26(31)17-24-10-8-22(29-24)15-20-6-5-19(27-20)14-21-7-9-23(16-25)28-21/h2-17,27-29H,1H3/q+1
InChIKeyRXUUFFRQXARMCF-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.01
Rot. Bonds1

About 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin

24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin (PubChem CID 91472866) has the molecular formula C26H22N5+ and a molecular weight of 404.50 g/mol. Its IUPAC name is 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin.

Molecular Properties

Compound Name24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin
PubChem CID91472866
Molecular FormulaC26H22N5+
Molecular Weight404.50 g/mol
Exact Mass404.19
IUPAC Name24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin
SMILESCc1cccc[n+]1-n1c2ccc1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2
InChIInChI=1S/C26H22N5/c1-18-4-2-3-13-30(18)31-25-11-12-26(31)17-24-10-8-22(29-24)15-20-6-5-19(27-20)14-21-7-9-23(16-25)28-21/h2-17,27-29H,1H3/q+1
InChIKeyRXUUFFRQXARMCF-UHFFFAOYSA-N
XLogP1.01
TPSA56.18 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Dipyrromethane
CID 140814
(5Z)-2-(1H-pyrrol-2-yl)-5-[(5-undecyl-1H-pyrrol-2-yl)methylidene]pyrrole
CID 135476167
Bilane
CID 9548777
b-Bilene
CID 44263817
N'-[(E)-2-(1H-pyrrol-2-yl)ethylideneamino]pyridine-2-carboxamidine
CID 9575132
1,4-Benzenediamine, N,N'-bis(1H-pyrrol-2-ylmethylene)-
CID 695477
1H-Pyrrole, 2,5-bis(1H-pyrrol-2-ylmethyl)-
CID 10889583
2,6-Bis(2-pyrrolyl)pyridine
CID 11644157
2,6-Dimethyl-3-(1-vinyl-2-pyrrolyl)-5-(2-pyrrolyl)-pyridine
CID 11514478
2-(1-Vinyl-2-pyrrolyl)-6-(2-pyrrolyl)pyridine
CID 11593863
tributyl-[6-(1H-pyrrol-2-yl)pyridazin-4-yl]stannane
CID 15362123
N~1~,N~3~-Bis[(2H-pyrrol-2-ylidene)methyl]propane-1,3-diamine
CID 3082083

Frequently Asked Questions

What is the IUPAC name of 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin?
The IUPAC name of 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin (CID 91472866) is 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin.
What is the SMILES notation for 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin?
The canonical SMILES for 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin is Cc1cccc[n+]1-n1c2ccc1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2.
What is the InChIKey of 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin?
The InChIKey is RXUUFFRQXARMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N5/c1-18-4-2-3-13-30(18)31-25-11-12-26(31)17-24-10-8-22(29-24)15-20-6-5-19(27-20)14-21-7-9-23(16-25)28-21/h2-17,27-29H,1H3/q+1.
What are the key properties of 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin?
24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin has a molecular weight of 404.50 g/mol, XLogP of 1.01, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-(2-methylpyridin-1-ium-1-yl)-22,23-dihydro-21H-porphyrin is sourced from PubChem (CID 91472866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).