gold;5,10,15,20-tetramethylporphyrin-22,24-diide

C24H20AuN4-2 — CID 162468805

IUPACgold;5,10,15,20-tetramethylporphyrin-22,24-diide
SMILESCc1c2nc(c(C)c3ccc([n-]3)c(C)c3nc(c(C)c4ccc1[n-]4)C=C3)C=C2.[Au]
InChIInChI=1S/C24H20N4.Au/c1-13-17-5-7-19(25-17)14(2)21-9-11-23(27-21)16(4)24-12-10-22(28-24)15(3)20-8-6-18(13)26-20;/h5-12H,1-4H3;/q-2;/b17-13-,18-13-,19-14-,20-15-,21-14-,22-15-,23-16-,24-16-;
InChIKeyNJODWHUKPSNMQP-UAXVPCMMSA-N
MW561.42 g/mol
LogP5.14
Rot. Bonds

About gold;5,10,15,20-tetramethylporphyrin-22,24-diide

gold;5,10,15,20-tetramethylporphyrin-22,24-diide (PubChem CID 162468805) has the molecular formula C24H20AuN4-2 and a molecular weight of 561.42 g/mol. Its IUPAC name is gold;5,10,15,20-tetramethylporphyrin-22,24-diide.

Molecular Properties

Compound Namegold;5,10,15,20-tetramethylporphyrin-22,24-diide
PubChem CID162468805
Molecular FormulaC24H20AuN4-2
Molecular Weight561.42 g/mol
Exact Mass561.14
IUPAC Namegold;5,10,15,20-tetramethylporphyrin-22,24-diide
SMILESCc1c2nc(c(C)c3ccc([n-]3)c(C)c3nc(c(C)c4ccc1[n-]4)C=C3)C=C2.[Au]
InChIInChI=1S/C24H20N4.Au/c1-13-17-5-7-19(25-17)14(2)21-9-11-23(27-21)16(4)24-12-10-22(28-24)15(3)20-8-6-18(13)26-20;/h5-12H,1-4H3;/q-2;/b17-13-,18-13-,19-14-,20-15-,21-14-,22-15-,23-16-,24-16-;
InChIKeyNJODWHUKPSNMQP-UAXVPCMMSA-N
XLogP5.14
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.42
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of gold;5,10,15,20-tetramethylporphyrin-22,24-diide?
The IUPAC name of gold;5,10,15,20-tetramethylporphyrin-22,24-diide (CID 162468805) is gold;5,10,15,20-tetramethylporphyrin-22,24-diide.
What is the SMILES notation for gold;5,10,15,20-tetramethylporphyrin-22,24-diide?
The canonical SMILES for gold;5,10,15,20-tetramethylporphyrin-22,24-diide is Cc1c2nc(c(C)c3ccc([n-]3)c(C)c3nc(c(C)c4ccc1[n-]4)C=C3)C=C2.[Au].
What is the InChIKey of gold;5,10,15,20-tetramethylporphyrin-22,24-diide?
The InChIKey is NJODWHUKPSNMQP-UAXVPCMMSA-N. The full InChI is InChI=1S/C24H20N4.Au/c1-13-17-5-7-19(25-17)14(2)21-9-11-23(27-21)16(4)24-12-10-22(28-24)15(3)20-8-6-18(13)26-20;/h5-12H,1-4H3;/q-2;/b17-13-,18-13-,19-14-,20-15-,21-14-,22-15-,23-16-,24-16-;.
What are the key properties of gold;5,10,15,20-tetramethylporphyrin-22,24-diide?
gold;5,10,15,20-tetramethylporphyrin-22,24-diide has a molecular weight of 561.42 g/mol, XLogP of 5.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;5,10,15,20-tetramethylporphyrin-22,24-diide is sourced from PubChem (CID 162468805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).