3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol

C32H22N4O — CID 135487394

IUPAC3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol
SMILESOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C32H22N4O/c37-26-8-4-7-21(17-26)32-29-15-11-24(35-29)18-22-9-13-27(33-22)31(20-5-2-1-3-6-20)28-14-10-23(34-28)19-25-12-16-30(32)36-25/h1-19,33,36-37H/b22-18-,23-19-,24-18-,25-19-,31-27-,31-28-,32-29-,32-30-
InChIKeyWRPPYCQXFUXOQL-IYNIXLDNSA-N
MW478.56 g/mol
LogP7.70
Rot. Bonds2

About 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol

3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol (PubChem CID 135487394) has the molecular formula C32H22N4O and a molecular weight of 478.56 g/mol. Its IUPAC name is 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol.

Molecular Properties

Compound Name3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol
PubChem CID135487394
Molecular FormulaC32H22N4O
Molecular Weight478.56 g/mol
Exact Mass478.18
IUPAC Name3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol
SMILESOc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1
InChIInChI=1S/C32H22N4O/c37-26-8-4-7-21(17-26)32-29-15-11-24(35-29)18-22-9-13-27(33-22)31(20-5-2-1-3-6-20)28-14-10-23(34-28)19-25-12-16-30(32)36-25/h1-19,33,36-37H/b22-18-,23-19-,24-18-,25-19-,31-27-,31-28-,32-29-,32-30-
InChIKeyWRPPYCQXFUXOQL-IYNIXLDNSA-N
XLogP7.70
TPSA77.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 57.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol?
The IUPAC name of 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol (CID 135487394) is 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol.
What is the SMILES notation for 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol?
The canonical SMILES for 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol is Oc1cccc(-c2c3nc(cc4ccc([nH]4)c(-c4ccccc4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1.
What is the InChIKey of 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol?
The InChIKey is WRPPYCQXFUXOQL-IYNIXLDNSA-N. The full InChI is InChI=1S/C32H22N4O/c37-26-8-4-7-21(17-26)32-29-15-11-24(35-29)18-22-9-13-27(33-22)31(20-5-2-1-3-6-20)28-14-10-23(34-28)19-25-12-16-30(32)36-25/h1-19,33,36-37H/b22-18-,23-19-,24-18-,25-19-,31-27-,31-28-,32-29-,32-30-.
What are the key properties of 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol?
3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol has a molecular weight of 478.56 g/mol, XLogP of 7.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(15-phenyl-21,23-dihydroporphyrin-5-yl)phenol is sourced from PubChem (CID 135487394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).