(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol

C44H32N4O2 — CID 136715659

IUPAC(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
SMILESO[C@@H]1c2[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c2-c2ccccc2)C=C4)C=C3)[C@@H]1O
InChIInChI=1S/C44H32N4O2/c49-43-41-39(29-17-9-3-10-18-29)35-25-23-33(46-35)37(27-13-5-1-6-14-27)31-21-22-32(45-31)38(28-15-7-2-8-16-28)34-24-26-36(47-34)40(42(48-41)44(43)50)30-19-11-4-12-20-30/h1-26,43-45,48-50H/b37-33-,38-34-,41-39-,42-40-/t43-,44+
InChIKeyOXEXURZUDNNDAX-YWKSXTCASA-N
MW648.77 g/mol
LogP9.81
Rot. Bonds4

About (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol

(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol (PubChem CID 136715659) has the molecular formula C44H32N4O2 and a molecular weight of 648.77 g/mol. Its IUPAC name is (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol.

Molecular Properties

Compound Name(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
PubChem CID136715659
Molecular FormulaC44H32N4O2
Molecular Weight648.77 g/mol
Exact Mass648.25
IUPAC Name(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol
SMILESO[C@@H]1c2[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c2-c2ccccc2)C=C4)C=C3)[C@@H]1O
InChIInChI=1S/C44H32N4O2/c49-43-41-39(29-17-9-3-10-18-29)35-25-23-33(46-35)37(27-13-5-1-6-14-27)31-21-22-32(45-31)38(28-15-7-2-8-16-28)34-24-26-36(47-34)40(42(48-41)44(43)50)30-19-11-4-12-20-30/h1-26,43-45,48-50H/b37-33-,38-34-,41-39-,42-40-/t43-,44+
InChIKeyOXEXURZUDNNDAX-YWKSXTCASA-N
XLogP9.81
TPSA97.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.77
LogP ≤ 59.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol?
The IUPAC name of (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol (CID 136715659) is (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol.
What is the SMILES notation for (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol?
The canonical SMILES for (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol is O[C@@H]1c2[nH]c(c(-c3ccccc3)c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c2-c2ccccc2)C=C4)C=C3)[C@@H]1O.
What is the InChIKey of (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol?
The InChIKey is OXEXURZUDNNDAX-YWKSXTCASA-N. The full InChI is InChI=1S/C44H32N4O2/c49-43-41-39(29-17-9-3-10-18-29)35-25-23-33(46-35)37(27-13-5-1-6-14-27)31-21-22-32(45-31)38(28-15-7-2-8-16-28)34-24-26-36(47-34)40(42(48-41)44(43)50)30-19-11-4-12-20-30/h1-26,43-45,48-50H/b37-33-,38-34-,41-39-,42-40-/t43-,44+.
What are the key properties of (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol?
(2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol has a molecular weight of 648.77 g/mol, XLogP of 9.81, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5,10,15,20-tetraphenyl-2,3,21,23-tetrahydroporphyrin-2,3-diol is sourced from PubChem (CID 136715659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).