2,3-bis(ethenyl)porphyrin

C24H16N4 — CID 68646483

IUPAC2,3-bis(ethenyl)porphyrin
SMILESC=CC1=C(C=C)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C24H16N4/c1-3-21-22(4-2)24-14-20-10-8-18(27-20)12-16-6-5-15(25-16)11-17-7-9-19(26-17)13-23(21)28-24/h3-14H,1-2H2/b15-11-,16-12-,17-11-,18-12-,19-13-,20-14-,23-13-,24-14-
InChIKeyQGOAEQBGMNLMGE-QSONDJRLSA-N
MW360.42 g/mol
LogP4.69
Rot. Bonds2

About 2,3-bis(ethenyl)porphyrin

2,3-bis(ethenyl)porphyrin (PubChem CID 68646483) has the molecular formula C24H16N4 and a molecular weight of 360.42 g/mol. Its IUPAC name is 2,3-bis(ethenyl)porphyrin.

Molecular Properties

Compound Name2,3-bis(ethenyl)porphyrin
PubChem CID68646483
Molecular FormulaC24H16N4
Molecular Weight360.42 g/mol
Exact Mass360.14
IUPAC Name2,3-bis(ethenyl)porphyrin
SMILESC=CC1=C(C=C)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3
InChIInChI=1S/C24H16N4/c1-3-21-22(4-2)24-14-20-10-8-18(27-20)12-16-6-5-15(25-16)11-17-7-9-19(26-17)13-23(21)28-24/h3-14H,1-2H2/b15-11-,16-12-,17-11-,18-12-,19-13-,20-14-,23-13-,24-14-
InChIKeyQGOAEQBGMNLMGE-QSONDJRLSA-N
XLogP4.69
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)porphyrin?
The IUPAC name of 2,3-bis(ethenyl)porphyrin (CID 68646483) is 2,3-bis(ethenyl)porphyrin.
What is the SMILES notation for 2,3-bis(ethenyl)porphyrin?
The canonical SMILES for 2,3-bis(ethenyl)porphyrin is C=CC1=C(C=C)/C2=C/C3=N/C(=C\C4=N/C(=C\C5=N/C(=C\C1=N2)C=C5)C=C4)C=C3.
What is the InChIKey of 2,3-bis(ethenyl)porphyrin?
The InChIKey is QGOAEQBGMNLMGE-QSONDJRLSA-N. The full InChI is InChI=1S/C24H16N4/c1-3-21-22(4-2)24-14-20-10-8-18(27-20)12-16-6-5-15(25-16)11-17-7-9-19(26-17)13-23(21)28-24/h3-14H,1-2H2/b15-11-,16-12-,17-11-,18-12-,19-13-,20-14-,23-13-,24-14-.
What are the key properties of 2,3-bis(ethenyl)porphyrin?
2,3-bis(ethenyl)porphyrin has a molecular weight of 360.42 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)porphyrin is sourced from PubChem (CID 68646483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).