5,15-bis(2-ethylpentyl)porphyrin

C34H40N4 — CID 118645954

IUPAC5,15-bis(2-ethylpentyl)porphyrin
SMILESCCCC(CC)C/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(CC(CC)CCC)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C34H40N4/c1-5-9-23(7-3)19-29-31-15-11-25(35-31)21-27-13-17-33(37-27)30(20-24(8-4)10-6-2)34-18-14-28(38-34)22-26-12-16-32(29)36-26/h11-18,21-24H,5-10,19-20H2,1-4H3/b25-21-,26-22-,27-21-,28-22-,31-29-,32-29-,33-30-,34-30-
InChIKeyQXAYEWIFOQHIHU-AGCXMNNXSA-N
MW504.72 g/mol
LogP8.75
Rot. Bonds10

About 5,15-bis(2-ethylpentyl)porphyrin

5,15-bis(2-ethylpentyl)porphyrin (PubChem CID 118645954) has the molecular formula C34H40N4 and a molecular weight of 504.72 g/mol. Its IUPAC name is 5,15-bis(2-ethylpentyl)porphyrin.

Molecular Properties

Compound Name5,15-bis(2-ethylpentyl)porphyrin
PubChem CID118645954
Molecular FormulaC34H40N4
Molecular Weight504.72 g/mol
Exact Mass504.33
IUPAC Name5,15-bis(2-ethylpentyl)porphyrin
SMILESCCCC(CC)C/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(CC(CC)CCC)=C2/C=CC(=N2)/C=C2/C=CC1=N2
InChIInChI=1S/C34H40N4/c1-5-9-23(7-3)19-29-31-15-11-25(35-31)21-27-13-17-33(37-27)30(20-24(8-4)10-6-2)34-18-14-28(38-34)22-26-12-16-32(29)36-26/h11-18,21-24H,5-10,19-20H2,1-4H3/b25-21-,26-22-,27-21-,28-22-,31-29-,32-29-,33-30-,34-30-
InChIKeyQXAYEWIFOQHIHU-AGCXMNNXSA-N
XLogP8.75
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.72
LogP ≤ 58.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,15-bis(2-ethylpentyl)porphyrin?
The IUPAC name of 5,15-bis(2-ethylpentyl)porphyrin (CID 118645954) is 5,15-bis(2-ethylpentyl)porphyrin.
What is the SMILES notation for 5,15-bis(2-ethylpentyl)porphyrin?
The canonical SMILES for 5,15-bis(2-ethylpentyl)porphyrin is CCCC(CC)C/C1=C2\C=CC(=N2)/C=C2/C=CC(=N2)/C(CC(CC)CCC)=C2/C=CC(=N2)/C=C2/C=CC1=N2.
What is the InChIKey of 5,15-bis(2-ethylpentyl)porphyrin?
The InChIKey is QXAYEWIFOQHIHU-AGCXMNNXSA-N. The full InChI is InChI=1S/C34H40N4/c1-5-9-23(7-3)19-29-31-15-11-25(35-31)21-27-13-17-33(37-27)30(20-24(8-4)10-6-2)34-18-14-28(38-34)22-26-12-16-32(29)36-26/h11-18,21-24H,5-10,19-20H2,1-4H3/b25-21-,26-22-,27-21-,28-22-,31-29-,32-29-,33-30-,34-30-.
What are the key properties of 5,15-bis(2-ethylpentyl)porphyrin?
5,15-bis(2-ethylpentyl)porphyrin has a molecular weight of 504.72 g/mol, XLogP of 8.75, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-bis(2-ethylpentyl)porphyrin is sourced from PubChem (CID 118645954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).