21,22-dihydroporphyrin;ethene

C22H18N4 — CID 158658158

IUPAC21,22-dihydroporphyrin;ethene
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.C=C
InChIInChI=1S/C20H14N4.C2H4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-2/h1-12,21-22H;1-2H2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeySBUXNLSOVOFDQT-QDJBTJTOSA-N
MW338.41 g/mol
LogP5.46
Rot. Bonds

About 21,22-dihydroporphyrin;ethene

21,22-dihydroporphyrin;ethene (PubChem CID 158658158) has the molecular formula C22H18N4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 21,22-dihydroporphyrin;ethene.

Molecular Properties

Compound Name21,22-dihydroporphyrin;ethene
PubChem CID158658158
Molecular FormulaC22H18N4
Molecular Weight338.41 g/mol
Exact Mass338.15
IUPAC Name21,22-dihydroporphyrin;ethene
SMILESC1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.C=C
InChIInChI=1S/C20H14N4.C2H4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-2/h1-12,21-22H;1-2H2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;
InChIKeySBUXNLSOVOFDQT-QDJBTJTOSA-N
XLogP5.46
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.41
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

zinc 21,22-dihydroporphyrin
CID 21123910
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CID 175757831
azanide;cobalt(2+);21,22-dihydroporphyrin
CID 175060320
azane;21,22-dihydroporphyrin;iron
CID 175545548
bis(21,22-dihydroporphyrin);nickel;vanadium
CID 175299729
disodium;21,22-dihydroporphyrin;hydride
CID 174339672
dizinc;21,22-dihydroporphyrin;tetraiodide
CID 173436903
azane;21,22-dihydroporphyrin;zinc
CID 175189190
21,23-dihydroporphyrin;trihydrochloride
CID 172691359
CID 88628527
CID 88628527
benzene;21,22-dihydroporphyrin;nickel;hydrate
CID 174957949
21,22-dihydroporphyrin;pyrazine
CID 175426535

Frequently Asked Questions

What is the IUPAC name of 21,22-dihydroporphyrin;ethene?
The IUPAC name of 21,22-dihydroporphyrin;ethene (CID 158658158) is 21,22-dihydroporphyrin;ethene.
What is the SMILES notation for 21,22-dihydroporphyrin;ethene?
The canonical SMILES for 21,22-dihydroporphyrin;ethene is C1=Cc2cc3ccc(cc4ccc(cc5nc(cc1n2)C=C5)[nH]4)[nH]3.C=C.
What is the InChIKey of 21,22-dihydroporphyrin;ethene?
The InChIKey is SBUXNLSOVOFDQT-QDJBTJTOSA-N. The full InChI is InChI=1S/C20H14N4.C2H4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;1-2/h1-12,21-22H;1-2H2/b13-9-,14-10-,15-9-,16-10-,17-11-,18-12-,19-11-,20-12-;.
What are the key properties of 21,22-dihydroporphyrin;ethene?
21,22-dihydroporphyrin;ethene has a molecular weight of 338.41 g/mol, XLogP of 5.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydroporphyrin;ethene is sourced from PubChem (CID 158658158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).