5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin

C52H38N4 — CID 136954903

IUPAC5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin
SMILESC=Cc1ccccc1-c1c2nc(c(-c3ccccc3C=C)c3ccc([nH]3)c(-c3ccccc3C=C)c3nc(c(-c4ccccc4C=C)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C52H38N4/c1-5-33-17-9-13-21-37(33)49-41-25-27-43(53-41)50(38-22-14-10-18-34(38)6-2)45-29-31-47(55-45)52(40-24-16-12-20-36(40)8-4)48-32-30-46(56-48)51(44-28-26-42(49)54-44)39-23-15-11-19-35(39)7-3/h5-32,53,56H,1-4H2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
InChIKeyOIBCAMKOOSNYON-RCOMQYLTSA-N
MW718.90 g/mol
LogP13.90
Rot. Bonds8

About 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin

5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin (PubChem CID 136954903) has the molecular formula C52H38N4 and a molecular weight of 718.90 g/mol. Its IUPAC name is 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin.

Molecular Properties

Compound Name5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin
PubChem CID136954903
Molecular FormulaC52H38N4
Molecular Weight718.90 g/mol
Exact Mass718.31
IUPAC Name5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin
SMILESC=Cc1ccccc1-c1c2nc(c(-c3ccccc3C=C)c3ccc([nH]3)c(-c3ccccc3C=C)c3nc(c(-c4ccccc4C=C)c4ccc1[nH]4)C=C3)C=C2
InChIInChI=1S/C52H38N4/c1-5-33-17-9-13-21-37(33)49-41-25-27-43(53-41)50(38-22-14-10-18-34(38)6-2)45-29-31-47(55-45)52(40-24-16-12-20-36(40)8-4)48-32-30-46(56-48)51(44-28-26-42(49)54-44)39-23-15-11-19-35(39)7-3/h5-32,53,56H,1-4H2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-
InChIKeyOIBCAMKOOSNYON-RCOMQYLTSA-N
XLogP13.90
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.90
LogP ≤ 513.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin with MolForge

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Related Compounds

CID 162310326
CID 162310326
dimethyl-[2-[10,15,20-tris(2-dimethylsulfoniophenyl)-21,23-dihydroporphyrin-5-yl]phenyl]sulfanium
CID 136749684
[2-[10,15,20-tris[2-(aminomethyl)phenyl]-21,23-dihydroporphyrin-5-yl]phenyl]methanamine
CID 135409013
iron;5,10,15,20-tetrakis(2-methoxyphenyl)-21,23-dihydroporphyrin
CID 175061750
titanium;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 157132426
nickel;2-[10,15,20-tris(2-carboxyphenyl)-21,23-dihydroporphyrin-5-yl]benzoic acid
CID 158282965
5,10,15,20-tetrakis(2-fluoro-3-pyridinyl)-21,23-dihydroporphyrin
CID 135882310
5,10,15-triphenyl-20-(4-prop-2-enoxyphenyl)-21,23-dihydroporphyrin
CID 136732211
copper 5,10,15,20-tetraphenyl-21,22-dihydroporphyrin
CID 57348333
5,15-bis(2-methylphenyl)-10,20-bis(2,4,6-trimethylphenyl)-21,23-dihydroporphyrin
CID 135490543
5,10,15-tris(2-nitrophenyl)-22,23-dihydro-21H-corrin
CID 136835247
5-(2-methoxyphenyl)-10,15,20-triphenyl-21,23-dihydroporphyrin
CID 136740277

Frequently Asked Questions

What is the IUPAC name of 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin?
The IUPAC name of 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin (CID 136954903) is 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin.
What is the SMILES notation for 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin?
The canonical SMILES for 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin is C=Cc1ccccc1-c1c2nc(c(-c3ccccc3C=C)c3ccc([nH]3)c(-c3ccccc3C=C)c3nc(c(-c4ccccc4C=C)c4ccc1[nH]4)C=C3)C=C2.
What is the InChIKey of 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin?
The InChIKey is OIBCAMKOOSNYON-RCOMQYLTSA-N. The full InChI is InChI=1S/C52H38N4/c1-5-33-17-9-13-21-37(33)49-41-25-27-43(53-41)50(38-22-14-10-18-34(38)6-2)45-29-31-47(55-45)52(40-24-16-12-20-36(40)8-4)48-32-30-46(56-48)51(44-28-26-42(49)54-44)39-23-15-11-19-35(39)7-3/h5-32,53,56H,1-4H2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,52-47-,52-48-.
What are the key properties of 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin?
5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin has a molecular weight of 718.90 g/mol, XLogP of 13.90, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,10,15,20-tetrakis(2-ethenylphenyl)-21,23-dihydroporphyrin is sourced from PubChem (CID 136954903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).