copper;21,22-dihydroporphyrin

C20H14CuN4 — CID 57423943

IUPACcopper;21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[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-;
InChIKeyRDLGOPAEAZXYJQ-QDJBTJTOSA-N
MW373.91 g/mol
LogP4.65
Rot. Bonds

About copper;21,22-dihydroporphyrin

copper;21,22-dihydroporphyrin (PubChem CID 57423943) has the molecular formula C20H14CuN4 and a molecular weight of 373.91 g/mol. Its IUPAC name is copper;21,22-dihydroporphyrin.

Molecular Properties

Compound Namecopper;21,22-dihydroporphyrin
PubChem CID57423943
Molecular FormulaC20H14CuN4
Molecular Weight373.91 g/mol
Exact Mass373.05
IUPAC Namecopper;21,22-dihydroporphyrin
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[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-;
InChIKeyRDLGOPAEAZXYJQ-QDJBTJTOSA-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 ≤ 500373.91
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of copper;21,22-dihydroporphyrin?
The IUPAC name of copper;21,22-dihydroporphyrin (CID 57423943) is copper;21,22-dihydroporphyrin.
What is the SMILES notation for copper;21,22-dihydroporphyrin?
The canonical SMILES for copper;21,22-dihydroporphyrin is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.[Cu].
What is the InChIKey of copper;21,22-dihydroporphyrin?
The InChIKey is RDLGOPAEAZXYJQ-QDJBTJTOSA-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-;.
What are the key properties of copper;21,22-dihydroporphyrin?
copper;21,22-dihydroporphyrin has a molecular weight of 373.91 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;21,22-dihydroporphyrin is sourced from PubChem (CID 57423943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).