5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin

C24H26N4 — CID 54008154

IUPAC5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin
SMILESCC1=C2C=CC(=N2)C(C)=c2ccc([nH]2)=C(C)C2=NC(=C(C)C3CCC1N3)C=C2
InChIInChI=1S/C24H26N4/c1-13-17-5-7-19(25-17)14(2)21-9-11-23(27-21)16(4)24-12-10-22(28-24)15(3)20-8-6-18(13)26-20/h5-9,11,22,24-25,28H,10,12H2,1-4H3
InChIKeyGRJBLLQUPOGUMH-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.06
Rot. Bonds

About 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin

5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin (PubChem CID 54008154) has the molecular formula C24H26N4 and a molecular weight of 370.50 g/mol. Its IUPAC name is 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin
PubChem CID54008154
Molecular FormulaC24H26N4
Molecular Weight370.50 g/mol
Exact Mass370.22
IUPAC Name5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin
SMILESCC1=C2C=CC(=N2)C(C)=c2ccc([nH]2)=C(C)C2=NC(=C(C)C3CCC1N3)C=C2
InChIInChI=1S/C24H26N4/c1-13-17-5-7-19(25-17)14(2)21-9-11-23(27-21)16(4)24-12-10-22(28-24)15(3)20-8-6-18(13)26-20/h5-9,11,22,24-25,28H,10,12H2,1-4H3
InChIKeyGRJBLLQUPOGUMH-UHFFFAOYSA-N
XLogP3.06
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin?
The IUPAC name of 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin (CID 54008154) is 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin?
The canonical SMILES for 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin is CC1=C2C=CC(=N2)C(C)=c2ccc([nH]2)=C(C)C2=NC(=C(C)C3CCC1N3)C=C2.
What is the InChIKey of 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin?
The InChIKey is GRJBLLQUPOGUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4/c1-13-17-5-7-19(25-17)14(2)21-9-11-23(27-21)16(4)24-12-10-22(28-24)15(3)20-8-6-18(13)26-20/h5-9,11,22,24-25,28H,10,12H2,1-4H3.
What are the key properties of 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin?
5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin has a molecular weight of 370.50 g/mol, XLogP of 3.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetramethyl-1,2,3,4,21,23-hexahydroporphyrin is sourced from PubChem (CID 54008154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).