5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin

C23H26N4 — CID 173197165

IUPAC5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin
SMILESCC1=C2CCC(=N2)C(C)=c2ccc([nH]2)=C(C)C2=NC(=CC3CCC1N3)C=C2
InChIInChI=1S/C23H26N4/c1-13-18-6-4-16(24-18)12-17-5-7-19(25-17)14(2)21-9-11-23(27-21)15(3)22-10-8-20(13)26-22/h4,6,8,10,12,17,19,25-26H,5,7,9,11H2,1-3H3
InChIKeyXEVVXPDJWCQMEP-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.89
Rot. Bonds

About 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin

5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin (PubChem CID 173197165) has the molecular formula C23H26N4 and a molecular weight of 358.49 g/mol. Its IUPAC name is 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin.

Molecular Properties

Compound Name5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin
PubChem CID173197165
Molecular FormulaC23H26N4
Molecular Weight358.49 g/mol
Exact Mass358.22
IUPAC Name5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin
SMILESCC1=C2CCC(=N2)C(C)=c2ccc([nH]2)=C(C)C2=NC(=CC3CCC1N3)C=C2
InChIInChI=1S/C23H26N4/c1-13-18-6-4-16(24-18)12-17-5-7-19(25-17)14(2)21-9-11-23(27-21)15(3)22-10-8-20(13)26-22/h4,6,8,10,12,17,19,25-26H,5,7,9,11H2,1-3H3
InChIKeyXEVVXPDJWCQMEP-UHFFFAOYSA-N
XLogP2.89
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin?
The IUPAC name of 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin (CID 173197165) is 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin.
What is the SMILES notation for 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin?
The canonical SMILES for 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin is CC1=C2CCC(=N2)C(C)=c2ccc([nH]2)=C(C)C2=NC(=CC3CCC1N3)C=C2.
What is the InChIKey of 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin?
The InChIKey is XEVVXPDJWCQMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4/c1-13-18-6-4-16(24-18)12-17-5-7-19(25-17)14(2)21-9-11-23(27-21)15(3)22-10-8-20(13)26-22/h4,6,8,10,12,17,19,25-26H,5,7,9,11H2,1-3H3.
What are the key properties of 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin?
5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin has a molecular weight of 358.49 g/mol, XLogP of 2.89, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15-trimethyl-1,2,3,4,7,8,21,23-octahydroporphyrin is sourced from PubChem (CID 173197165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).