1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin

C28H24N4 — CID 175272166

IUPAC1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin
SMILESCc1cc(C)cc(C23C=C4C=CC(=N4)C=C4C=CC(=N4)C=c4ccc([nH]4)=CC(=CC2)N3)c1
InChIInChI=1S/C28H24N4/c1-18-11-19(2)13-20(12-18)28-10-9-26(32-28)16-25-6-5-22(30-25)14-21-3-4-23(29-21)15-24-7-8-27(17-28)31-24/h3-9,11-17,30,32H,10H2,1-2H3
InChIKeyHEMJCXLZUCCYBR-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.77
Rot. Bonds1

About 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin

1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin (PubChem CID 175272166) has the molecular formula C28H24N4 and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin
PubChem CID175272166
Molecular FormulaC28H24N4
Molecular Weight416.53 g/mol
Exact Mass416.20
IUPAC Name1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin
SMILESCc1cc(C)cc(C23C=C4C=CC(=N4)C=C4C=CC(=N4)C=c4ccc([nH]4)=CC(=CC2)N3)c1
InChIInChI=1S/C28H24N4/c1-18-11-19(2)13-20(12-18)28-10-9-26(32-28)16-25-6-5-22(30-25)14-21-3-4-23(29-21)15-24-7-8-27(17-28)31-24/h3-9,11-17,30,32H,10H2,1-2H3
InChIKeyHEMJCXLZUCCYBR-UHFFFAOYSA-N
XLogP3.77
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin?
The IUPAC name of 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin (CID 175272166) is 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin?
The canonical SMILES for 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin is Cc1cc(C)cc(C23C=C4C=CC(=N4)C=C4C=CC(=N4)C=c4ccc([nH]4)=CC(=CC2)N3)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin?
The InChIKey is HEMJCXLZUCCYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4/c1-18-11-19(2)13-20(12-18)28-10-9-26(32-28)16-25-6-5-22(30-25)14-21-3-4-23(29-21)15-24-7-8-27(17-28)31-24/h3-9,11-17,30,32H,10H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin?
1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin has a molecular weight of 416.53 g/mol, XLogP of 3.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-21,22-dihydro-2H-porphyrin is sourced from PubChem (CID 175272166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).