(14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one

C22H18N4O — CID 177426418

IUPAC(14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one
SMILESCC1(C)C2=N/C(=C\C3=N/C(=C\c4ccc([nH]4)C(=O)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C22H18N4O/c1-22(2)19-9-6-16(25-19)12-14-4-3-13(23-14)11-15-5-7-17(24-15)21(27)18-8-10-20(22)26-18/h3-12,24,26H,1-2H3/b13-11-,16-12-
InChIKeySLXXEDPLGCHKGR-KZWIATNNSA-N
MW354.41 g/mol
LogP4.11
Rot. Bonds

About (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one

(14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one (PubChem CID 177426418) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one.

Molecular Properties

Compound Name(14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one
PubChem CID177426418
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC Name(14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one
SMILESCC1(C)C2=N/C(=C\C3=N/C(=C\c4ccc([nH]4)C(=O)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C22H18N4O/c1-22(2)19-9-6-16(25-19)12-14-4-3-13(23-14)11-15-5-7-17(24-15)21(27)18-8-10-20(22)26-18/h3-12,24,26H,1-2H3/b13-11-,16-12-
InChIKeySLXXEDPLGCHKGR-KZWIATNNSA-N
XLogP4.11
TPSA73.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one?
The IUPAC name of (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one (CID 177426418) is (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one.
What is the SMILES notation for (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one?
The canonical SMILES for (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one is CC1(C)C2=N/C(=C\C3=N/C(=C\c4ccc([nH]4)C(=O)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one?
The InChIKey is SLXXEDPLGCHKGR-KZWIATNNSA-N. The full InChI is InChI=1S/C22H18N4O/c1-22(2)19-9-6-16(25-19)12-14-4-3-13(23-14)11-15-5-7-17(24-15)21(27)18-8-10-20(22)26-18/h3-12,24,26H,1-2H3/b13-11-,16-12-.
What are the key properties of (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one?
(14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one has a molecular weight of 354.41 g/mol, XLogP of 4.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (14Z,19Z)-10,10-dimethyl-21,22-dihydroporphyrin-5-one is sourced from PubChem (CID 177426418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).