(10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin

C20H20N4 — CID 87421094

IUPAC(10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin
SMILESC1=C/C2=C/C3CCC(CC4C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3
InChIInChI=1S/C20H20N4/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/h1-6,9-11,18-21,24H,7-8,12H2/b13-9-,14-10-,17-11-
InChIKeyOSBDSLFKMMKLKM-VZPOTTSCSA-N
MW316.41 g/mol
LogP1.37
Rot. Bonds

About (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin

(10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin (PubChem CID 87421094) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin.

Molecular Properties

Compound Name(10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin
PubChem CID87421094
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name(10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin
SMILESC1=C/C2=C/C3CCC(CC4C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3
InChIInChI=1S/C20H20N4/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/h1-6,9-11,18-21,24H,7-8,12H2/b13-9-,14-10-,17-11-
InChIKeyOSBDSLFKMMKLKM-VZPOTTSCSA-N
XLogP1.37
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin?
The IUPAC name of (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin (CID 87421094) is (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin.
What is the SMILES notation for (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin?
The canonical SMILES for (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin is C1=C/C2=C/C3CCC(CC4C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3.
What is the InChIKey of (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin?
The InChIKey is OSBDSLFKMMKLKM-VZPOTTSCSA-N. The full InChI is InChI=1S/C20H20N4/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/h1-6,9-11,18-21,24H,7-8,12H2/b13-9-,14-10-,17-11-.
What are the key properties of (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin?
(10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin has a molecular weight of 316.41 g/mol, XLogP of 1.37, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z,14Z,19Z)-1,2,3,4,5,6,21,23-octahydroporphyrin is sourced from PubChem (CID 87421094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).