3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol

C44H28N4O2 — CID 69033109

IUPAC3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol
SMILESOc1cccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3cccc(O)c3)=C3/C=CC(=N3)/C(c3ccccc3)=C3/C=CC2=N3)c1
InChIInChI=1S/C44H28N4O2/c49-31-15-7-13-29(25-31)43-37-21-17-33(45-37)41(27-9-3-1-4-10-27)34-18-22-38(46-34)44(30-14-8-16-32(50)26-30)40-24-20-36(48-40)42(28-11-5-2-6-12-28)35-19-23-39(43)47-35/h1-26,49-50H/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-
InChIKeyCMPTYEVNKMMGCM-VRDUDMDPSA-N
MW644.73 g/mol
LogP9.10
Rot. Bonds4

About 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol

3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol (PubChem CID 69033109) has the molecular formula C44H28N4O2 and a molecular weight of 644.73 g/mol. Its IUPAC name is 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol.

Molecular Properties

Compound Name3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol
PubChem CID69033109
Molecular FormulaC44H28N4O2
Molecular Weight644.73 g/mol
Exact Mass644.22
IUPAC Name3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol
SMILESOc1cccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3cccc(O)c3)=C3/C=CC(=N3)/C(c3ccccc3)=C3/C=CC2=N3)c1
InChIInChI=1S/C44H28N4O2/c49-31-15-7-13-29(25-31)43-37-21-17-33(45-37)41(27-9-3-1-4-10-27)34-18-22-38(46-34)44(30-14-8-16-32(50)26-30)40-24-20-36(48-40)42(28-11-5-2-6-12-28)35-19-23-39(43)47-35/h1-26,49-50H/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-
InChIKeyCMPTYEVNKMMGCM-VRDUDMDPSA-N
XLogP9.10
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.73
LogP ≤ 59.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol?
The IUPAC name of 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol (CID 69033109) is 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol.
What is the SMILES notation for 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol?
The canonical SMILES for 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol is Oc1cccc(/C2=C3\C=CC(=N3)/C(c3ccccc3)=C3/C=CC(=N3)/C(c3cccc(O)c3)=C3/C=CC(=N3)/C(c3ccccc3)=C3/C=CC2=N3)c1.
What is the InChIKey of 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol?
The InChIKey is CMPTYEVNKMMGCM-VRDUDMDPSA-N. The full InChI is InChI=1S/C44H28N4O2/c49-31-15-7-13-29(25-31)43-37-21-17-33(45-37)41(27-9-3-1-4-10-27)34-18-22-38(46-34)44(30-14-8-16-32(50)26-30)40-24-20-36(48-40)42(28-11-5-2-6-12-28)35-19-23-39(43)47-35/h1-26,49-50H/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40-.
What are the key properties of 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol?
3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol has a molecular weight of 644.73 g/mol, XLogP of 9.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[15-(3-hydroxyphenyl)-10,20-diphenylporphyrin-5-yl]phenol is sourced from PubChem (CID 69033109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).