2-(1,2-dihydropyridin-4-yl)porphyrin

C25H17N5 — CID 174720907

IUPAC2-(1,2-dihydropyridin-4-yl)porphyrin
SMILESC1=CC(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)=CCN1
InChIInChI=1S/C25H17N5/c1-2-18-12-20-5-6-22(29-20)15-25-24(16-7-9-26-10-8-16)14-23(30-25)13-21-4-3-19(28-21)11-17(1)27-18/h1-9,11-15,26H,10H2/b17-11-,18-12-,19-11-,20-12-,21-13-,22-15-,23-13-,25-15-
InChIKeyOHPAEEUFYMXAFI-OGPHAVTISA-N
MW387.45 g/mol
LogP3.99
Rot. Bonds1

About 2-(1,2-dihydropyridin-4-yl)porphyrin

2-(1,2-dihydropyridin-4-yl)porphyrin (PubChem CID 174720907) has the molecular formula C25H17N5 and a molecular weight of 387.45 g/mol. Its IUPAC name is 2-(1,2-dihydropyridin-4-yl)porphyrin.

Molecular Properties

Compound Name2-(1,2-dihydropyridin-4-yl)porphyrin
PubChem CID174720907
Molecular FormulaC25H17N5
Molecular Weight387.45 g/mol
Exact Mass387.15
IUPAC Name2-(1,2-dihydropyridin-4-yl)porphyrin
SMILESC1=CC(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)=CCN1
InChIInChI=1S/C25H17N5/c1-2-18-12-20-5-6-22(29-20)15-25-24(16-7-9-26-10-8-16)14-23(30-25)13-21-4-3-19(28-21)11-17(1)27-18/h1-9,11-15,26H,10H2/b17-11-,18-12-,19-11-,20-12-,21-13-,22-15-,23-13-,25-15-
InChIKeyOHPAEEUFYMXAFI-OGPHAVTISA-N
XLogP3.99
TPSA61.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydropyridin-4-yl)porphyrin?
The IUPAC name of 2-(1,2-dihydropyridin-4-yl)porphyrin (CID 174720907) is 2-(1,2-dihydropyridin-4-yl)porphyrin.
What is the SMILES notation for 2-(1,2-dihydropyridin-4-yl)porphyrin?
The canonical SMILES for 2-(1,2-dihydropyridin-4-yl)porphyrin is C1=CC(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)=CCN1.
What is the InChIKey of 2-(1,2-dihydropyridin-4-yl)porphyrin?
The InChIKey is OHPAEEUFYMXAFI-OGPHAVTISA-N. The full InChI is InChI=1S/C25H17N5/c1-2-18-12-20-5-6-22(29-20)15-25-24(16-7-9-26-10-8-16)14-23(30-25)13-21-4-3-19(28-21)11-17(1)27-18/h1-9,11-15,26H,10H2/b17-11-,18-12-,19-11-,20-12-,21-13-,22-15-,23-13-,25-15-.
What are the key properties of 2-(1,2-dihydropyridin-4-yl)porphyrin?
2-(1,2-dihydropyridin-4-yl)porphyrin has a molecular weight of 387.45 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydropyridin-4-yl)porphyrin is sourced from PubChem (CID 174720907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).