5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)

C49H30N4Ni — CID 71615538

IUPAC5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)
SMILESC=C=Cc1c2nc(c(-c3ccc4ccccc4c3)c3ccc([n-]3)c(-c3ccccc3)c3nc(c(-c4ccc5ccccc5c4)c4ccc1[n-]4)C=C3)C=C2.[Ni+2]
InChIInChI=1S/C49H30N4.Ni/c1-2-10-38-39-21-23-43(50-39)48(36-19-17-31-11-6-8-15-34(31)29-36)45-27-25-41(52-45)47(33-13-4-3-5-14-33)42-26-28-46(53-42)49(44-24-22-40(38)51-44)37-20-18-32-12-7-9-16-35(32)30-37;/h3-30H,1H2;/q-2;+2/b39-38-,40-38-,47-41-,47-42-,48-43-,48-45-,49-44-,49-46-;
InChIKeyRAKWWLZDWSOYHO-CGGVYZHZSA-N
MW733.50 g/mol
LogP12.02
Rot. Bonds4

About 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)

5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+) (PubChem CID 71615538) has the molecular formula C49H30N4Ni and a molecular weight of 733.50 g/mol. Its IUPAC name is 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+).

Molecular Properties

Compound Name5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)
PubChem CID71615538
Molecular FormulaC49H30N4Ni
Molecular Weight733.50 g/mol
Exact Mass732.18
IUPAC Name5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)
SMILESC=C=Cc1c2nc(c(-c3ccc4ccccc4c3)c3ccc([n-]3)c(-c3ccccc3)c3nc(c(-c4ccc5ccccc5c4)c4ccc1[n-]4)C=C3)C=C2.[Ni+2]
InChIInChI=1S/C49H30N4.Ni/c1-2-10-38-39-21-23-43(50-39)48(36-19-17-31-11-6-8-15-34(31)29-36)45-27-25-41(52-45)47(33-13-4-3-5-14-33)42-26-28-46(53-42)49(44-24-22-40(38)51-44)37-20-18-32-12-7-9-16-35(32)30-37;/h3-30H,1H2;/q-2;+2/b39-38-,40-38-,47-41-,47-42-,48-43-,48-45-,49-44-,49-46-;
InChIKeyRAKWWLZDWSOYHO-CGGVYZHZSA-N
XLogP12.02
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.50
LogP ≤ 512.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+) with MolForge

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Related Compounds

nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
palladium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 58273727
dizinc;5,10,15-triphenyl-20-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)porphyrin-22,24-diide
CID 134908932
chlororuthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 169046484
dicopper;6,11,16,25,30,35-hexakis-phenyl-40,41,44,45-tetraza-39,42,43,46-tetrazanidanonacyclo[34.2.1.12,5.17,10.112,15.117,20.121,24.126,29.131,34]hexatetraconta-1,3,5,7(45),8,10,12(44),13,15,17,19,21,23,25,27,29(41),30,32,34(40),35,37-henicosaene
CID 140772135
nickel(2+);(E)-3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)prop-2-enoyl chloride
CID 135872704
bis(acetonitrile);nickel(3+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 146014610
zinc 5-ethenyl-10,15,20-tris(4-methylphenyl)porphyrin-22,24-diide
CID 11250914
cobalt(3+);prop-1-en-2-olate;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 50921065
nickel(3+);bis(pyridine);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 165365898
zinc 2-ethenyl-5,10,15,20-tetraphenylporphyrin-21,23-diide
CID 24949359
zinc 3-(10,15,20-triphenylporphyrin-22,24-diid-5-yl)phenanthrene-9,10-dione
CID 11083327

Frequently Asked Questions

What is the IUPAC name of 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)?
The IUPAC name of 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+) (CID 71615538) is 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+).
What is the SMILES notation for 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)?
The canonical SMILES for 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+) is C=C=Cc1c2nc(c(-c3ccc4ccccc4c3)c3ccc([n-]3)c(-c3ccccc3)c3nc(c(-c4ccc5ccccc5c4)c4ccc1[n-]4)C=C3)C=C2.[Ni+2].
What is the InChIKey of 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)?
The InChIKey is RAKWWLZDWSOYHO-CGGVYZHZSA-N. The full InChI is InChI=1S/C49H30N4.Ni/c1-2-10-38-39-21-23-43(50-39)48(36-19-17-31-11-6-8-15-34(31)29-36)45-27-25-41(52-45)47(33-13-4-3-5-14-33)42-26-28-46(53-42)49(44-24-22-40(38)51-44)37-20-18-32-12-7-9-16-35(32)30-37;/h3-30H,1H2;/q-2;+2/b39-38-,40-38-,47-41-,47-42-,48-43-,48-45-,49-44-,49-46-;.
What are the key properties of 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+)?
5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+) has a molecular weight of 733.50 g/mol, XLogP of 12.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,15-dinaphthalen-2-yl-10-phenyl-20-propa-1,2-dienylporphyrin-22,24-diide;nickel(2+) is sourced from PubChem (CID 71615538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).