gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol

C44H29AuN4O — CID 15977414

IUPACgold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol
SMILESOC1(c2ccccc2)C2=N/C(=C(/c3ccccc3)c3ccc([n-]3)/C(c3ccccc3)=c3/cc/c([n-]3)=C(\c3ccccc3)c3ccc1[n-]3)C=C2.[Au+3]
InChIInChI=1S/C44H29N4O.Au/c49-44(32-19-11-4-12-20-32)39-27-25-37(47-39)42(30-15-7-2-8-16-30)35-23-21-33(45-35)41(29-13-5-1-6-14-29)34-22-24-36(46-34)43(31-17-9-3-10-18-31)38-26-28-40(44)48-38;/h1-28,49H;/q-3;+3/b41-33-,42-35-,43-38-;
InChIKeyNEEURWSYRUTKQZ-MXTXBXEBSA-N
MW826.71 g/mol
LogP6.07
Rot. Bonds4

About gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol

gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol (PubChem CID 15977414) has the molecular formula C44H29AuN4O and a molecular weight of 826.71 g/mol. Its IUPAC name is gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol.

Molecular Properties

Compound Namegold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol
PubChem CID15977414
Molecular FormulaC44H29AuN4O
Molecular Weight826.71 g/mol
Exact Mass826.20
IUPAC Namegold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol
SMILESOC1(c2ccccc2)C2=N/C(=C(/c3ccccc3)c3ccc([n-]3)/C(c3ccccc3)=c3/cc/c([n-]3)=C(\c3ccccc3)c3ccc1[n-]3)C=C2.[Au+3]
InChIInChI=1S/C44H29N4O.Au/c49-44(32-19-11-4-12-20-32)39-27-25-37(47-39)42(30-15-7-2-8-16-30)35-23-21-33(45-35)41(29-13-5-1-6-14-29)34-22-24-36(46-34)43(31-17-9-3-10-18-31)38-26-28-40(44)48-38;/h1-28,49H;/q-3;+3/b41-33-,42-35-,43-38-;
InChIKeyNEEURWSYRUTKQZ-MXTXBXEBSA-N
XLogP6.07
TPSA74.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.71
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol with MolForge

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Related Compounds

2,6-Bis(diphenylhydroxymethyl)piperidine
CID 94051
1,1'-(Pyridine-2,6-diyl)bis(1,2-diphenylethan-1-ol)
CID 94052
2,6-Bis(dibenzylhydroxymethyl)piperidines
CID 94053
2,6-Bis[[(s)-2-(diphenylhydroxymethyl)-1-pyrrolidinyl]methyl]pyridine
CID 12103571
5-Phenyl-21,22,23,24-tetrahydroporphyrin-2,10,15,20-tetrol
CID 54564257
10-Phenyl-21,22,23,24-tetrahydroporphyrin-5-ol
CID 91481871
2,6-Bis(2-hydroxy-2,2-diphenylethyl)pyridine
CID 11454237
gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol
CID 11768013
zinc (2R,3S)-5,10,15,20-tetraphenyl-2,3-dihydroporphyrin-22,24-diide-2,3-diol
CID 15331603
1-[4-(10,15,20-Triphenyl-21,22,23,24-tetrahydroporphyrin-5-yl)phenyl]ethanol
CID 91295400
[4-[10,15,20-Tris(4-methylphenyl)-21,22,23,24-tetrahydroporphyrin-5-yl]phenyl]methanol
CID 91558271
3-[6-(2-Hydroxy-2,2-diphenylethyl)-2-pyridinyl]-1,1-diphenylpropan-1-ol
CID 122229804

Frequently Asked Questions

What is the IUPAC name of gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol?
The IUPAC name of gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol (CID 15977414) is gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol.
What is the SMILES notation for gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol?
The canonical SMILES for gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol is OC1(c2ccccc2)C2=N/C(=C(/c3ccccc3)c3ccc([n-]3)/C(c3ccccc3)=c3/cc/c([n-]3)=C(\c3ccccc3)c3ccc1[n-]3)C=C2.[Au+3].
What is the InChIKey of gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol?
The InChIKey is NEEURWSYRUTKQZ-MXTXBXEBSA-N. The full InChI is InChI=1S/C44H29N4O.Au/c49-44(32-19-11-4-12-20-32)39-27-25-37(47-39)42(30-15-7-2-8-16-30)35-23-21-33(45-35)41(29-13-5-1-6-14-29)34-22-24-36(46-34)43(31-17-9-3-10-18-31)38-26-28-40(44)48-38;/h1-28,49H;/q-3;+3/b41-33-,42-35-,43-38-;.
What are the key properties of gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol?
gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol has a molecular weight of 826.71 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(3+);(1Z,10Z,14Z)-5,10,15,20-tetraphenylporphyrin-22,23,24-triid-5-ol is sourced from PubChem (CID 15977414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).