1,2,3,4,5,7,8,9,21,24-decahydroporphyrin

C20H22N4 — CID 123412970

IUPAC1,2,3,4,5,7,8,9,21,24-decahydroporphyrin
SMILESC1=CC2=NC1=CC1CCC(=N1)CC1CCC(C=c3ccc([nH]3)=C2)N1
InChIInChI=1S/C20H22N4/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/h1-4,9-11,16,18-19,21,23H,5-8,12H2
InChIKeyGLOIZRTWTGPILV-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.60
Rot. Bonds

About 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin

1,2,3,4,5,7,8,9,21,24-decahydroporphyrin (PubChem CID 123412970) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin.

Molecular Properties

Compound Name1,2,3,4,5,7,8,9,21,24-decahydroporphyrin
PubChem CID123412970
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name1,2,3,4,5,7,8,9,21,24-decahydroporphyrin
SMILESC1=CC2=NC1=CC1CCC(=N1)CC1CCC(C=c3ccc([nH]3)=C2)N1
InChIInChI=1S/C20H22N4/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/h1-4,9-11,16,18-19,21,23H,5-8,12H2
InChIKeyGLOIZRTWTGPILV-UHFFFAOYSA-N
XLogP1.60
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin?
The IUPAC name of 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin (CID 123412970) is 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin.
What is the SMILES notation for 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin?
The canonical SMILES for 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin is C1=CC2=NC1=CC1CCC(=N1)CC1CCC(C=c3ccc([nH]3)=C2)N1.
What is the InChIKey of 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin?
The InChIKey is GLOIZRTWTGPILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/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/h1-4,9-11,16,18-19,21,23H,5-8,12H2.
What are the key properties of 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin?
1,2,3,4,5,7,8,9,21,24-decahydroporphyrin has a molecular weight of 318.42 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,7,8,9,21,24-decahydroporphyrin is sourced from PubChem (CID 123412970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).