2-(2,4,6-triethylphenyl)porphyrin

C32H28N4 — CID 67592689

IUPAC2-(2,4,6-triethylphenyl)porphyrin
SMILESCCc1cc(CC)c(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(CC)c1
InChIInChI=1S/C32H28N4/c1-4-20-13-21(5-2)32(22(6-3)14-20)30-18-29-17-27-10-9-25(34-27)15-23-7-8-24(33-23)16-26-11-12-28(35-26)19-31(30)36-29/h7-19H,4-6H2,1-3H3/b23-15-,24-16-,25-15-,26-16-,27-17-,28-19-,29-17-,31-19-
InChIKeyKLORXOJPZYILHR-RJXGYOSSSA-N
MW468.60 g/mol
LogP6.79
Rot. Bonds4

About 2-(2,4,6-triethylphenyl)porphyrin

2-(2,4,6-triethylphenyl)porphyrin (PubChem CID 67592689) has the molecular formula C32H28N4 and a molecular weight of 468.60 g/mol. Its IUPAC name is 2-(2,4,6-triethylphenyl)porphyrin.

Molecular Properties

Compound Name2-(2,4,6-triethylphenyl)porphyrin
PubChem CID67592689
Molecular FormulaC32H28N4
Molecular Weight468.60 g/mol
Exact Mass468.23
IUPAC Name2-(2,4,6-triethylphenyl)porphyrin
SMILESCCc1cc(CC)c(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(CC)c1
InChIInChI=1S/C32H28N4/c1-4-20-13-21(5-2)32(22(6-3)14-20)30-18-29-17-27-10-9-25(34-27)15-23-7-8-24(33-23)16-26-11-12-28(35-26)19-31(30)36-29/h7-19H,4-6H2,1-3H3/b23-15-,24-16-,25-15-,26-16-,27-17-,28-19-,29-17-,31-19-
InChIKeyKLORXOJPZYILHR-RJXGYOSSSA-N
XLogP6.79
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-triethylphenyl)porphyrin?
The IUPAC name of 2-(2,4,6-triethylphenyl)porphyrin (CID 67592689) is 2-(2,4,6-triethylphenyl)porphyrin.
What is the SMILES notation for 2-(2,4,6-triethylphenyl)porphyrin?
The canonical SMILES for 2-(2,4,6-triethylphenyl)porphyrin is CCc1cc(CC)c(C2=CC3=N/C2=C\C2=N/C(=C\C4=N/C(=C\C5=N/C(=C\3)C=C5)C=C4)C=C2)c(CC)c1.
What is the InChIKey of 2-(2,4,6-triethylphenyl)porphyrin?
The InChIKey is KLORXOJPZYILHR-RJXGYOSSSA-N. The full InChI is InChI=1S/C32H28N4/c1-4-20-13-21(5-2)32(22(6-3)14-20)30-18-29-17-27-10-9-25(34-27)15-23-7-8-24(33-23)16-26-11-12-28(35-26)19-31(30)36-29/h7-19H,4-6H2,1-3H3/b23-15-,24-16-,25-15-,26-16-,27-17-,28-19-,29-17-,31-19-.
What are the key properties of 2-(2,4,6-triethylphenyl)porphyrin?
2-(2,4,6-triethylphenyl)porphyrin has a molecular weight of 468.60 g/mol, XLogP of 6.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-triethylphenyl)porphyrin is sourced from PubChem (CID 67592689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).