zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide

C43H32N4Zn — CID 11250914

IUPACzinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide
SMILESC=Cc1c2nc(c(-c3ccc(C)cc3)c3ccc([n-]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2]
InChIInChI=1S/C43H32N4.Zn/c1-5-32-33-18-20-35(44-33)41(29-12-6-26(2)7-13-29)37-22-24-39(46-37)43(31-16-10-28(4)11-17-31)40-25-23-38(47-40)42(36-21-19-34(32)45-36)30-14-8-27(3)9-15-30;/h5-25H,1H2,2-4H3;/q-2;+2/b33-32-,34-32-,41-35-,41-37-,42-36-,42-38-,43-39-,43-40-;
InChIKeyGDINPRZEMYTGCI-VIQKNPDISA-N
MW670.15 g/mol
LogP10.48
Rot. Bonds4

About zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide

zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide (PubChem CID 11250914) has the molecular formula C43H32N4Zn and a molecular weight of 670.15 g/mol. Its IUPAC name is zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide.

Molecular Properties

Compound Namezinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide
PubChem CID11250914
Molecular FormulaC43H32N4Zn
Molecular Weight670.15 g/mol
Exact Mass668.19
IUPAC Namezinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide
SMILESC=Cc1c2nc(c(-c3ccc(C)cc3)c3ccc([n-]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2]
InChIInChI=1S/C43H32N4.Zn/c1-5-32-33-18-20-35(44-33)41(29-12-6-26(2)7-13-29)37-22-24-39(46-37)43(31-16-10-28(4)11-17-31)40-25-23-38(47-40)42(36-21-19-34(32)45-36)30-14-8-27(3)9-15-30;/h5-25H,1H2,2-4H3;/q-2;+2/b33-32-,34-32-,41-35-,41-37-,42-36-,42-38-,43-39-,43-40-;
InChIKeyGDINPRZEMYTGCI-VIQKNPDISA-N
XLogP10.48
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.15
LogP ≤ 510.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
5,15-bis(3,5-ditert-butylphenyl)-10-ethenylporphyrin-22,24-diide;nickel(2+)
CID 11513340
zinc [4-[10,15,20-tris(4-methylphenyl)porphyrin-22,24-diid-5-yl]phenyl]methanol
CID 11274195
cobalt(2+);5,10,15-tris(4-methylphenyl)-20-[4-(4-prop-2-enylhepta-1,6-dien-4-yl)phenyl]porphyrin-22,24-diide
CID 11686535
ethanol;rhodium(3+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 71524389
zinc 5-ethenyl-15-oct-1-ynyl-10,20-diphenylporphyrin-22,24-diide
CID 164677599
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
molybdenum(2+);2-phenylethynylbenzene;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 5249671
1,2-bis(4-chlorophenyl)ethane-1,2-diol;5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide;titanium(2+)
CID 11251694
copper 5,10,15,20-tetrakis(4-methoxyphenyl)porphyrin-22,24-diide
CID 4040225
zinc 5-(4-methylphenyl)-10,20-diphenyl-15-(4-prop-1-ynylphenyl)porphyrin-22,24-diide
CID 166512473
nickel(2+);5,10,15,20-tetrakis(4-chlorophenyl)porphyrin-22,24-diide
CID 12073187

Frequently Asked Questions

What is the IUPAC name of zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide?
The IUPAC name of zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide (CID 11250914) is zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide.
What is the SMILES notation for zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide?
The canonical SMILES for zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide is C=Cc1c2nc(c(-c3ccc(C)cc3)c3ccc([n-]3)c(-c3ccc(C)cc3)c3nc(c(-c4ccc(C)cc4)c4ccc1[n-]4)C=C3)C=C2.[Zn+2].
What is the InChIKey of zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide?
The InChIKey is GDINPRZEMYTGCI-VIQKNPDISA-N. The full InChI is InChI=1S/C43H32N4.Zn/c1-5-32-33-18-20-35(44-33)41(29-12-6-26(2)7-13-29)37-22-24-39(46-37)43(31-16-10-28(4)11-17-31)40-25-23-38(47-40)42(36-21-19-34(32)45-36)30-14-8-27(3)9-15-30;/h5-25H,1H2,2-4H3;/q-2;+2/b33-32-,34-32-,41-35-,41-37-,42-36-,42-38-,43-39-,43-40-;.
What are the key properties of zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide?
zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide has a molecular weight of 670.15 g/mol, XLogP of 10.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide is sourced from PubChem (CID 11250914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).