copper;porphyrin

C20H12CuN4 — CID 66658314

IUPACcopper;porphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[Cu]
InChIInChI=1S/C20H12N4.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;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyLYBTUBCKRKBRGL-QDJBTJTOSA-N
MW371.89 g/mol
LogP3.58
Rot. Bonds

About copper;porphyrin

copper;porphyrin (PubChem CID 66658314) has the molecular formula C20H12CuN4 and a molecular weight of 371.89 g/mol. Its IUPAC name is copper;porphyrin.

Molecular Properties

Compound Namecopper;porphyrin
PubChem CID66658314
Molecular FormulaC20H12CuN4
Molecular Weight371.89 g/mol
Exact Mass371.04
IUPAC Namecopper;porphyrin
SMILESC1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[Cu]
InChIInChI=1S/C20H12N4.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;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeyLYBTUBCKRKBRGL-QDJBTJTOSA-N
XLogP3.58
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.89
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of copper;porphyrin?
The IUPAC name of copper;porphyrin (CID 66658314) is copper;porphyrin.
What is the SMILES notation for copper;porphyrin?
The canonical SMILES for copper;porphyrin is C1=C/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.[Cu].
What is the InChIKey of copper;porphyrin?
The InChIKey is LYBTUBCKRKBRGL-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H12N4.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;/h1-12H;/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of copper;porphyrin?
copper;porphyrin has a molecular weight of 371.89 g/mol, XLogP of 3.58, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for copper;porphyrin is sourced from PubChem (CID 66658314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).