2,10,15,20-tetraphenylporphyrin-5-ol

C44H28N4O — CID 174779262

IUPAC2,10,15,20-tetraphenylporphyrin-5-ol
SMILESO/C1=C2\C=C(c3ccccc3)C(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC1=N2
InChIInChI=1S/C44H28N4O/c49-44-38-26-25-36(47-38)41(30-17-9-3-10-18-30)34-22-21-33(45-34)40(29-15-7-2-8-16-29)35-23-24-37(46-35)42(31-19-11-4-12-20-31)43-32(27-39(44)48-43)28-13-5-1-6-14-28/h1-27,49H/b40-33-,40-35-,41-34-,41-36-,42-37-,43-42-,44-38+,44-39+
InChIKeyIEYZIKYPMDPNJV-KYZDZXIUSA-N
MW628.74 g/mol
LogP9.57
Rot. Bonds4

About 2,10,15,20-tetraphenylporphyrin-5-ol

2,10,15,20-tetraphenylporphyrin-5-ol (PubChem CID 174779262) has the molecular formula C44H28N4O and a molecular weight of 628.74 g/mol. Its IUPAC name is 2,10,15,20-tetraphenylporphyrin-5-ol.

Molecular Properties

Compound Name2,10,15,20-tetraphenylporphyrin-5-ol
PubChem CID174779262
Molecular FormulaC44H28N4O
Molecular Weight628.74 g/mol
Exact Mass628.23
IUPAC Name2,10,15,20-tetraphenylporphyrin-5-ol
SMILESO/C1=C2\C=C(c3ccccc3)C(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC1=N2
InChIInChI=1S/C44H28N4O/c49-44-38-26-25-36(47-38)41(30-17-9-3-10-18-30)34-22-21-33(45-34)40(29-15-7-2-8-16-29)35-23-24-37(46-35)42(31-19-11-4-12-20-31)43-32(27-39(44)48-43)28-13-5-1-6-14-28/h1-27,49H/b40-33-,40-35-,41-34-,41-36-,42-37-,43-42-,44-38+,44-39+
InChIKeyIEYZIKYPMDPNJV-KYZDZXIUSA-N
XLogP9.57
TPSA69.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.74
LogP ≤ 59.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,10,15,20-tetraphenylporphyrin-5-ol?
The IUPAC name of 2,10,15,20-tetraphenylporphyrin-5-ol (CID 174779262) is 2,10,15,20-tetraphenylporphyrin-5-ol.
What is the SMILES notation for 2,10,15,20-tetraphenylporphyrin-5-ol?
The canonical SMILES for 2,10,15,20-tetraphenylporphyrin-5-ol is O/C1=C2\C=C(c3ccccc3)C(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC(=N2)/C(c2ccccc2)=C2/C=CC1=N2.
What is the InChIKey of 2,10,15,20-tetraphenylporphyrin-5-ol?
The InChIKey is IEYZIKYPMDPNJV-KYZDZXIUSA-N. The full InChI is InChI=1S/C44H28N4O/c49-44-38-26-25-36(47-38)41(30-17-9-3-10-18-30)34-22-21-33(45-34)40(29-15-7-2-8-16-29)35-23-24-37(46-35)42(31-19-11-4-12-20-31)43-32(27-39(44)48-43)28-13-5-1-6-14-28/h1-27,49H/b40-33-,40-35-,41-34-,41-36-,42-37-,43-42-,44-38+,44-39+.
What are the key properties of 2,10,15,20-tetraphenylporphyrin-5-ol?
2,10,15,20-tetraphenylporphyrin-5-ol has a molecular weight of 628.74 g/mol, XLogP of 9.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10,15,20-tetraphenylporphyrin-5-ol is sourced from PubChem (CID 174779262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).