1,2,3,22-tetrahydroporphyrin

C20H16N4 — CID 135960442

IUPAC1,2,3,22-tetrahydroporphyrin
SMILESC1=CC2=NC1=CC1CCC(=N1)C=c1ccc([nH]1)=CC1=NC(=C2)C=C1
InChIInChI=1S/C20H16N4/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/h1-6,9-12,19,23H,7-8H2
InChIKeyBYQGJUILSOSNSK-UHFFFAOYSA-N
MW312.38 g/mol
LogP1.98
Rot. Bonds

About 1,2,3,22-tetrahydroporphyrin

1,2,3,22-tetrahydroporphyrin (PubChem CID 135960442) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 1,2,3,22-tetrahydroporphyrin.

Molecular Properties

Compound Name1,2,3,22-tetrahydroporphyrin
PubChem CID135960442
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name1,2,3,22-tetrahydroporphyrin
SMILESC1=CC2=NC1=CC1CCC(=N1)C=c1ccc([nH]1)=CC1=NC(=C2)C=C1
InChIInChI=1S/C20H16N4/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/h1-6,9-12,19,23H,7-8H2
InChIKeyBYQGJUILSOSNSK-UHFFFAOYSA-N
XLogP1.98
TPSA52.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,22-tetrahydroporphyrin?
The IUPAC name of 1,2,3,22-tetrahydroporphyrin (CID 135960442) is 1,2,3,22-tetrahydroporphyrin.
What is the SMILES notation for 1,2,3,22-tetrahydroporphyrin?
The canonical SMILES for 1,2,3,22-tetrahydroporphyrin is C1=CC2=NC1=CC1CCC(=N1)C=c1ccc([nH]1)=CC1=NC(=C2)C=C1.
What is the InChIKey of 1,2,3,22-tetrahydroporphyrin?
The InChIKey is BYQGJUILSOSNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/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/h1-6,9-12,19,23H,7-8H2.
What are the key properties of 1,2,3,22-tetrahydroporphyrin?
1,2,3,22-tetrahydroporphyrin has a molecular weight of 312.38 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,22-tetrahydroporphyrin is sourced from PubChem (CID 135960442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).