24-methyl-22,23-dihydro-21H-porphyrin

C21H18N4 — CID 54044435

IUPAC24-methyl-22,23-dihydro-21H-porphyrin
SMILESCn1c2ccc1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2
InChIInChI=1S/C21H18N4/c1-25-20-8-9-21(25)13-19-7-5-17(24-19)11-15-3-2-14(22-15)10-16-4-6-18(12-20)23-16/h2-13,22-24H,1H3
InChIKeyZRUABVDJUPCXQR-UHFFFAOYSA-N
MW326.40 g/mol
LogP0.64
Rot. Bonds

About 24-methyl-22,23-dihydro-21H-porphyrin

24-methyl-22,23-dihydro-21H-porphyrin (PubChem CID 54044435) has the molecular formula C21H18N4 and a molecular weight of 326.40 g/mol. Its IUPAC name is 24-methyl-22,23-dihydro-21H-porphyrin.

Molecular Properties

Compound Name24-methyl-22,23-dihydro-21H-porphyrin
PubChem CID54044435
Molecular FormulaC21H18N4
Molecular Weight326.40 g/mol
Exact Mass326.15
IUPAC Name24-methyl-22,23-dihydro-21H-porphyrin
SMILESCn1c2ccc1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2
InChIInChI=1S/C21H18N4/c1-25-20-8-9-21(25)13-19-7-5-17(24-19)11-15-3-2-14(22-15)10-16-4-6-18(12-20)23-16/h2-13,22-24H,1H3
InChIKeyZRUABVDJUPCXQR-UHFFFAOYSA-N
XLogP0.64
TPSA52.30 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 24-methyl-22,23-dihydro-21H-porphyrin?
The IUPAC name of 24-methyl-22,23-dihydro-21H-porphyrin (CID 54044435) is 24-methyl-22,23-dihydro-21H-porphyrin.
What is the SMILES notation for 24-methyl-22,23-dihydro-21H-porphyrin?
The canonical SMILES for 24-methyl-22,23-dihydro-21H-porphyrin is Cn1c2ccc1=Cc1ccc([nH]1)C=c1ccc([nH]1)=Cc1ccc([nH]1)C=2.
What is the InChIKey of 24-methyl-22,23-dihydro-21H-porphyrin?
The InChIKey is ZRUABVDJUPCXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4/c1-25-20-8-9-21(25)13-19-7-5-17(24-19)11-15-3-2-14(22-15)10-16-4-6-18(12-20)23-16/h2-13,22-24H,1H3.
What are the key properties of 24-methyl-22,23-dihydro-21H-porphyrin?
24-methyl-22,23-dihydro-21H-porphyrin has a molecular weight of 326.40 g/mol, XLogP of 0.64, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methyl-22,23-dihydro-21H-porphyrin is sourced from PubChem (CID 54044435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).