(4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)

C36H46N4Pd — CID 58692871

IUPAC(4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)
SMILESCCC1=C(CC)/C2=C/C3[N-]/C(=C\C4=N/C(=C\C5[N-]/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Pd+2]
InChIInChI=1S/C36H46N4.Pd/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20,29,36H,9-16H2,1-8H3;/q-2;+2/b30-18-,31-17-,34-20-,35-19-;
InChIKeyNSFJFPAOZNUZBM-CLUNTYBZSA-N
MW641.21 g/mol
LogP10.42
Rot. Bonds8

About (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)

(4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+) (PubChem CID 58692871) has the molecular formula C36H46N4Pd and a molecular weight of 641.21 g/mol. Its IUPAC name is (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+).

Molecular Properties

Compound Name(4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)
PubChem CID58692871
Molecular FormulaC36H46N4Pd
Molecular Weight641.21 g/mol
Exact Mass640.28
IUPAC Name(4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)
SMILESCCC1=C(CC)/C2=C/C3[N-]/C(=C\C4=N/C(=C\C5[N-]/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Pd+2]
InChIInChI=1S/C36H46N4.Pd/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20,29,36H,9-16H2,1-8H3;/q-2;+2/b30-18-,31-17-,34-20-,35-19-;
InChIKeyNSFJFPAOZNUZBM-CLUNTYBZSA-N
XLogP10.42
TPSA52.92 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.21
LogP ≤ 510.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+) with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)?
The IUPAC name of (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+) (CID 58692871) is (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+).
What is the SMILES notation for (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)?
The canonical SMILES for (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+) is CCC1=C(CC)/C2=C/C3[N-]/C(=C\C4=N/C(=C\C5[N-]/C(=C\C1=N2)C(CC)=C5CC)C(CC)=C4CC)C(CC)=C3CC.[Pd+2].
What is the InChIKey of (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)?
The InChIKey is NSFJFPAOZNUZBM-CLUNTYBZSA-N. The full InChI is InChI=1S/C36H46N4.Pd/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;/h17-20,29,36H,9-16H2,1-8H3;/q-2;+2/b30-18-,31-17-,34-20-,35-19-;.
What are the key properties of (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+)?
(4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+) has a molecular weight of 641.21 g/mol, XLogP of 10.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,9Z,14Z,19Z)-2,3,7,8,12,13,17,18-octaethyl-1,11-dihydroporphyrin-21,23-diide;palladium(2+) is sourced from PubChem (CID 58692871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).