10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol

C26H20N4O — CID 91481871

IUPAC10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol
SMILESOC1=c2ccc([nH]2)=C(c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2
InChIInChI=1S/C26H20N4O/c31-26-23-11-9-20(29-23)15-18-7-6-17(27-18)14-19-8-10-21(28-19)25(16-4-2-1-3-5-16)22-12-13-24(26)30-22/h1-15,27-31H
InChIKeyRPFDXWDVIRIDMH-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.93
Rot. Bonds1

About 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol

10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol (PubChem CID 91481871) has the molecular formula C26H20N4O and a molecular weight of 404.47 g/mol. Its IUPAC name is 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol.

Molecular Properties

Compound Name10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol
PubChem CID91481871
Molecular FormulaC26H20N4O
Molecular Weight404.47 g/mol
Exact Mass404.16
IUPAC Name10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol
SMILESOC1=c2ccc([nH]2)=C(c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2
InChIInChI=1S/C26H20N4O/c31-26-23-11-9-20(29-23)15-18-7-6-17(27-18)14-19-8-10-21(28-19)25(16-4-2-1-3-5-16)22-12-13-24(26)30-22/h1-15,27-31H
InChIKeyRPFDXWDVIRIDMH-UHFFFAOYSA-N
XLogP1.93
TPSA83.39 Ų
H-Bond Donors5
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol?
The IUPAC name of 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol (CID 91481871) is 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol.
What is the SMILES notation for 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol?
The canonical SMILES for 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol is OC1=c2ccc([nH]2)=C(c2ccccc2)c2ccc([nH]2)C=c2ccc([nH]2)=Cc2ccc1[nH]2.
What is the InChIKey of 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol?
The InChIKey is RPFDXWDVIRIDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O/c31-26-23-11-9-20(29-23)15-18-7-6-17(27-18)14-19-8-10-21(28-19)25(16-4-2-1-3-5-16)22-12-13-24(26)30-22/h1-15,27-31H.
What are the key properties of 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol?
10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol has a molecular weight of 404.47 g/mol, XLogP of 1.93, 1 rotatable bonds, 5 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-21,22,23,24-tetrahydroporphyrin-5-ol is sourced from PubChem (CID 91481871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).