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

C20H18N4 — CID 87151173

IUPAC(5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin
SMILESC1=C/C2=C/C3CCC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3
InChIInChI=1S/C20H18N4/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/h1-6,9-12,19-21,24H,7-8H2/b13-9-,14-10-,17-11-,18-12-
InChIKeyRZFDLDWSAAUYFW-MCBAHBGESA-N
MW314.39 g/mol
LogP1.50
Rot. Bonds

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

(5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin (PubChem CID 87151173) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin.

Molecular Properties

Compound Name(5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin
PubChem CID87151173
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name(5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin
SMILESC1=C/C2=C/C3CCC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3
InChIInChI=1S/C20H18N4/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/h1-6,9-12,19-21,24H,7-8H2/b13-9-,14-10-,17-11-,18-12-
InChIKeyRZFDLDWSAAUYFW-MCBAHBGESA-N
XLogP1.50
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin?
The IUPAC name of (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin (CID 87151173) is (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin.
What is the SMILES notation for (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin?
The canonical SMILES for (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin is C1=C/C2=C/C3CCC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3.
What is the InChIKey of (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin?
The InChIKey is RZFDLDWSAAUYFW-MCBAHBGESA-N. The full InChI is InChI=1S/C20H18N4/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/h1-6,9-12,19-21,24H,7-8H2/b13-9-,14-10-,17-11-,18-12-.
What are the key properties of (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin?
(5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin has a molecular weight of 314.39 g/mol, XLogP of 1.50, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10Z,14Z,19Z)-1,2,3,4,21,23-hexahydroporphyrin is sourced from PubChem (CID 87151173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).