copper;3-deuterio-21,22-dihydroporphyrin

C20H14CuN4 — CID 159890819

IUPACcopper;3-deuterio-21,22-dihydroporphyrin
SMILES[2H]c1cc2cc3nc(cc4nc(cc5ccc(cc1[nH]2)[nH]5)C=C4)C=C3.[Cu]
InChIInChI=1S/C20H14N4.Cu/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12,21-22H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;/i1D;
InChIKeyRDLGOPAEAZXYJQ-NTODGFBASA-N
MW374.91 g/mol
LogP4.65
Rot. Bonds

About copper;3-deuterio-21,22-dihydroporphyrin

copper;3-deuterio-21,22-dihydroporphyrin (PubChem CID 159890819) has the molecular formula C20H14CuN4 and a molecular weight of 374.91 g/mol. Its IUPAC name is copper;3-deuterio-21,22-dihydroporphyrin.

Molecular Properties

Compound Namecopper;3-deuterio-21,22-dihydroporphyrin
PubChem CID159890819
Molecular FormulaC20H14CuN4
Molecular Weight374.91 g/mol
Exact Mass374.06
IUPAC Namecopper;3-deuterio-21,22-dihydroporphyrin
SMILES[2H]c1cc2cc3nc(cc4nc(cc5ccc(cc1[nH]2)[nH]5)C=C4)C=C3.[Cu]
InChIInChI=1S/C20H14N4.Cu/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12,21-22H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;/i1D;
InChIKeyRDLGOPAEAZXYJQ-NTODGFBASA-N
XLogP4.65
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.91
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-deuterio-21,22-dihydroporphyrin;gadolinium
CID 160863807
zinc 21,22-dihydroporphyrin
CID 21123910
CID 175757831
CID 175757831
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azane;21,22-dihydroporphyrin;zinc
CID 175189190
21,22-dihydroporphyrin;ethene
CID 158658158
azane;21,22-dihydroporphyrin;iron
CID 175545548
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949

Frequently Asked Questions

What is the IUPAC name of copper;3-deuterio-21,22-dihydroporphyrin?
The IUPAC name of copper;3-deuterio-21,22-dihydroporphyrin (CID 159890819) is copper;3-deuterio-21,22-dihydroporphyrin.
What is the SMILES notation for copper;3-deuterio-21,22-dihydroporphyrin?
The canonical SMILES for copper;3-deuterio-21,22-dihydroporphyrin is [2H]c1cc2cc3nc(cc4nc(cc5ccc(cc1[nH]2)[nH]5)C=C4)C=C3.[Cu].
What is the InChIKey of copper;3-deuterio-21,22-dihydroporphyrin?
The InChIKey is RDLGOPAEAZXYJQ-NTODGFBASA-N. The full InChI is InChI=1S/C20H14N4.Cu/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-12,21-22H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;/i1D;.
What are the key properties of copper;3-deuterio-21,22-dihydroporphyrin?
copper;3-deuterio-21,22-dihydroporphyrin has a molecular weight of 374.91 g/mol, XLogP of 4.65, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for copper;3-deuterio-21,22-dihydroporphyrin is sourced from PubChem (CID 159890819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).