2-ethenylporphyrin

C22H14N4 — CID 66693207

IUPAC2-ethenylporphyrin
SMILESC=CC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C22H14N4/c1-2-14-9-21-12-19-6-5-17(24-19)10-15-3-4-16(23-15)11-18-7-8-20(25-18)13-22(14)26-21/h2-13H,1H2/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,21-12-,22-13-
InChIKeySDUZUHMQQVRLED-LGRBBWKFSA-N
MW334.38 g/mol
LogP4.14
Rot. Bonds1

About 2-ethenylporphyrin

2-ethenylporphyrin (PubChem CID 66693207) has the molecular formula C22H14N4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 2-ethenylporphyrin.

Molecular Properties

Compound Name2-ethenylporphyrin
PubChem CID66693207
Molecular FormulaC22H14N4
Molecular Weight334.38 g/mol
Exact Mass334.12
IUPAC Name2-ethenylporphyrin
SMILESC=CC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C22H14N4/c1-2-14-9-21-12-19-6-5-17(24-19)10-15-3-4-16(23-15)11-18-7-8-20(25-18)13-22(14)26-21/h2-13H,1H2/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,21-12-,22-13-
InChIKeySDUZUHMQQVRLED-LGRBBWKFSA-N
XLogP4.14
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylporphyrin?
The IUPAC name of 2-ethenylporphyrin (CID 66693207) is 2-ethenylporphyrin.
What is the SMILES notation for 2-ethenylporphyrin?
The canonical SMILES for 2-ethenylporphyrin is C=CC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 2-ethenylporphyrin?
The InChIKey is SDUZUHMQQVRLED-LGRBBWKFSA-N. The full InChI is InChI=1S/C22H14N4/c1-2-14-9-21-12-19-6-5-17(24-19)10-15-3-4-16(23-15)11-18-7-8-20(25-18)13-22(14)26-21/h2-13H,1H2/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,21-12-,22-13-.
What are the key properties of 2-ethenylporphyrin?
2-ethenylporphyrin has a molecular weight of 334.38 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylporphyrin is sourced from PubChem (CID 66693207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).