5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol

C26H20N4O4 — CID 54564257

IUPAC5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol
SMILESOC1=c2ccc([nH]2)=C(O)c2ccc([nH]2)C(O)=c2[nH]c(cc2O)=C(c2ccccc2)c2ccc1[nH]2
InChIInChI=1S/C26H20N4O4/c31-21-12-20-22(13-4-2-1-3-5-13)14-6-7-15(27-14)24(32)16-8-9-17(28-16)25(33)18-10-11-19(29-18)26(34)23(21)30-20/h1-12,27-34H
InChIKeyKDSGXLGEVCYHBX-UHFFFAOYSA-N
MW452.47 g/mol
LogP1.41
Rot. Bonds1

About 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol

5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol (PubChem CID 54564257) has the molecular formula C26H20N4O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol.

Molecular Properties

Compound Name5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol
PubChem CID54564257
Molecular FormulaC26H20N4O4
Molecular Weight452.47 g/mol
Exact Mass452.15
IUPAC Name5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol
SMILESOC1=c2ccc([nH]2)=C(O)c2ccc([nH]2)C(O)=c2[nH]c(cc2O)=C(c2ccccc2)c2ccc1[nH]2
InChIInChI=1S/C26H20N4O4/c31-21-12-20-22(13-4-2-1-3-5-13)14-6-7-15(27-14)24(32)16-8-9-17(28-16)25(33)18-10-11-19(29-18)26(34)23(21)30-20/h1-12,27-34H
InChIKeyKDSGXLGEVCYHBX-UHFFFAOYSA-N
XLogP1.41
TPSA144.08 Ų
H-Bond Donors8
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.47
LogP ≤ 51.41
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol?
The IUPAC name of 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol (CID 54564257) is 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol.
What is the SMILES notation for 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol?
The canonical SMILES for 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol is OC1=c2ccc([nH]2)=C(O)c2ccc([nH]2)C(O)=c2[nH]c(cc2O)=C(c2ccccc2)c2ccc1[nH]2.
What is the InChIKey of 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol?
The InChIKey is KDSGXLGEVCYHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4/c31-21-12-20-22(13-4-2-1-3-5-13)14-6-7-15(27-14)24(32)16-8-9-17(28-16)25(33)18-10-11-19(29-18)26(34)23(21)30-20/h1-12,27-34H.
What are the key properties of 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol?
5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol has a molecular weight of 452.47 g/mol, XLogP of 1.41, 1 rotatable bonds, 8 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol is sourced from PubChem (CID 54564257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).