2,3,12,22,23,24-hexahydroporphyrin

C20H18N4 — CID 135993171

IUPAC2,3,12,22,23,24-hexahydroporphyrin
SMILESC1=C2CCC(=N2)C=c2ccc([nH]2)=CC2=CCC(=Cc3ccc1[nH]3)N2
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/h1-3,7-12,21-22,24H,4-6H2
InChIKeyQZXWAOKHCKSVNK-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.41
Rot. Bonds

About 2,3,12,22,23,24-hexahydroporphyrin

2,3,12,22,23,24-hexahydroporphyrin (PubChem CID 135993171) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2,3,12,22,23,24-hexahydroporphyrin.

Molecular Properties

Compound Name2,3,12,22,23,24-hexahydroporphyrin
PubChem CID135993171
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name2,3,12,22,23,24-hexahydroporphyrin
SMILESC1=C2CCC(=N2)C=c2ccc([nH]2)=CC2=CCC(=Cc3ccc1[nH]3)N2
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/h1-3,7-12,21-22,24H,4-6H2
InChIKeyQZXWAOKHCKSVNK-UHFFFAOYSA-N
XLogP2.41
TPSA55.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,12,22,23,24-hexahydroporphyrin?
The IUPAC name of 2,3,12,22,23,24-hexahydroporphyrin (CID 135993171) is 2,3,12,22,23,24-hexahydroporphyrin.
What is the SMILES notation for 2,3,12,22,23,24-hexahydroporphyrin?
The canonical SMILES for 2,3,12,22,23,24-hexahydroporphyrin is C1=C2CCC(=N2)C=c2ccc([nH]2)=CC2=CCC(=Cc3ccc1[nH]3)N2.
What is the InChIKey of 2,3,12,22,23,24-hexahydroporphyrin?
The InChIKey is QZXWAOKHCKSVNK-UHFFFAOYSA-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/h1-3,7-12,21-22,24H,4-6H2.
What are the key properties of 2,3,12,22,23,24-hexahydroporphyrin?
2,3,12,22,23,24-hexahydroporphyrin has a molecular weight of 314.39 g/mol, XLogP of 2.41, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,12,22,23,24-hexahydroporphyrin is sourced from PubChem (CID 135993171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).