4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol

C32H22N4O — CID 175328747

IUPAC4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol
SMILESOc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c(-c2ccccc2)c1
InChIInChI=1S/C32H22N4O/c37-28-12-13-29(30(19-28)20-4-2-1-3-5-20)31-17-27-16-25-9-8-23(34-25)14-21-6-7-22(33-21)15-24-10-11-26(35-24)18-32(31)36-27/h1-19,33,36-37H/b21-14-,22-15-,23-14-,24-15-,25-16-,26-18-,27-16-,32-18-
InChIKeyZKMYJXDWSIMBEU-AAFLWDGHSA-N
MW478.56 g/mol
LogP7.70
Rot. Bonds2

About 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol

4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol (PubChem CID 175328747) has the molecular formula C32H22N4O and a molecular weight of 478.56 g/mol. Its IUPAC name is 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol.

Molecular Properties

Compound Name4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol
PubChem CID175328747
Molecular FormulaC32H22N4O
Molecular Weight478.56 g/mol
Exact Mass478.18
IUPAC Name4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol
SMILESOc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c(-c2ccccc2)c1
InChIInChI=1S/C32H22N4O/c37-28-12-13-29(30(19-28)20-4-2-1-3-5-20)31-17-27-16-25-9-8-23(34-25)14-21-6-7-22(33-21)15-24-10-11-26(35-24)18-32(31)36-27/h1-19,33,36-37H/b21-14-,22-15-,23-14-,24-15-,25-16-,26-18-,27-16-,32-18-
InChIKeyZKMYJXDWSIMBEU-AAFLWDGHSA-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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Related Compounds

argon;2-phenyl-21,22-dihydroporphyrin
CID 174855611
21,22-dihydroporphyrin;phenol
CID 162242849
copper;2-(21,22-dihydroporphyrin-2-yl)benzoic acid
CID 175295592
4-(10,20-diphenyl-21,23-dihydroporphyrin-2-yl)phenol
CID 151835088
2-(21,22-dihydroporphyrin-2-yl)benzenesulfonic acid
CID 19382115
3-(21,22-dihydroporphyrin-2-yl)aniline;manganese
CID 175045676
2-(21,22-dihydroporphyrin-2-yl)benzenesulfonic acid;iron
CID 175585042
1-(21,22-dihydroporphyrin-2-yl)naphthalen-2-ol
CID 161017382
2-[2-(21,23-dihydroporphyrin-2-yl)-1,2-diphenylethenyl]-21,23-dihydroporphyrin
CID 137222990
2-(21,23-dihydroporphyrin-2-yl)benzene-1,3,5-tricarboxylic acid
CID 175082920
CID 157119570
CID 157119570
2-(1-benzothiophen-2-yl)-21,22-dihydroporphyrin
CID 70566297

Frequently Asked Questions

What is the IUPAC name of 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol?
The IUPAC name of 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol (CID 175328747) is 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol.
What is the SMILES notation for 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol?
The canonical SMILES for 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol is Oc1ccc(-c2cc3cc4nc(cc5ccc(cc6nc(cc2[nH]3)C=C6)[nH]5)C=C4)c(-c2ccccc2)c1.
What is the InChIKey of 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol?
The InChIKey is ZKMYJXDWSIMBEU-AAFLWDGHSA-N. The full InChI is InChI=1S/C32H22N4O/c37-28-12-13-29(30(19-28)20-4-2-1-3-5-20)31-17-27-16-25-9-8-23(34-25)14-21-6-7-22(33-21)15-24-10-11-26(35-24)18-32(31)36-27/h1-19,33,36-37H/b21-14-,22-15-,23-14-,24-15-,25-16-,26-18-,27-16-,32-18-.
What are the key properties of 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol?
4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol 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 4-(21,23-dihydroporphyrin-2-yl)-3-phenylphenol is sourced from PubChem (CID 175328747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).