21,22-dihydroporphyrin;phenol

C26H20N4O — CID 162242849

IUPAC21,22-dihydroporphyrin;phenol
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.Oc1ccccc1
InChIInChI=1S/C20H14N4.C6H6O/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;7-6-4-2-1-3-5-6/h1-12,21-22H;1-5,7H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyQHFZTOGDGBFJRN-QDJBTJTOSA-N
MW404.47 g/mol
LogP6.05
Rot. Bonds

About 21,22-dihydroporphyrin;phenol

21,22-dihydroporphyrin;phenol (PubChem CID 162242849) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 21,22-dihydroporphyrin;phenol.

Molecular Properties

Compound Name21,22-dihydroporphyrin;phenol
PubChem CID162242849
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name21,22-dihydroporphyrin;phenol
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.Oc1ccccc1
InChIInChI=1S/C20H14N4.C6H6O/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;7-6-4-2-1-3-5-6/h1-12,21-22H;1-5,7H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyQHFZTOGDGBFJRN-QDJBTJTOSA-N
XLogP6.05
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.47
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175757831
21,22-dihydroporphyrin;phenol;zinc
CID 172832768
21,22-dihydroporphyrin;phenol;zirconium(4+)
CID 175004508
21,22-dihydroporphyrin;iron;phenol
CID 175513921
CID 88628527
CID 88628527
21,22-dihydroporphyrin;stilbene
CID 159218898
azane;21,22-dihydroporphyrin;zinc
CID 175189190
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
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CID 175060320

Frequently Asked Questions

What is the IUPAC name of 21,22-dihydroporphyrin;phenol?
The IUPAC name of 21,22-dihydroporphyrin;phenol (CID 162242849) is 21,22-dihydroporphyrin;phenol.
What is the SMILES notation for 21,22-dihydroporphyrin;phenol?
The canonical SMILES for 21,22-dihydroporphyrin;phenol is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.Oc1ccccc1.
What is the InChIKey of 21,22-dihydroporphyrin;phenol?
The InChIKey is QHFZTOGDGBFJRN-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H14N4.C6H6O/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;7-6-4-2-1-3-5-6/h1-12,21-22H;1-5,7H/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of 21,22-dihydroporphyrin;phenol?
21,22-dihydroporphyrin;phenol has a molecular weight of 404.47 g/mol, XLogP of 6.05, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydroporphyrin;phenol is sourced from PubChem (CID 162242849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).