cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide

C42H27CoN8 — CID 155720987

IUPACcobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide
SMILESC1=Cc2nc1c(-c1ccncc1)c1ccc([n-]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([n-]3)c2-c2ccncc2)C=C1.[Co+3].[H][C-]=C
InChIInChI=1S/C40H24N8.C2H3.Co/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;1-2;/h1-24H;1H,2H2;/q-2;-1;+3/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;
InChIKeyPCQZNAPXWCGMNL-NGRCPIEASA-N
MW702.67 g/mol
LogP8.76
Rot. Bonds4

About cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide

cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide (PubChem CID 155720987) has the molecular formula C42H27CoN8 and a molecular weight of 702.67 g/mol. Its IUPAC name is cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide.

Molecular Properties

Compound Namecobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide
PubChem CID155720987
Molecular FormulaC42H27CoN8
Molecular Weight702.67 g/mol
Exact Mass702.17
IUPAC Namecobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide
SMILESC1=Cc2nc1c(-c1ccncc1)c1ccc([n-]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([n-]3)c2-c2ccncc2)C=C1.[Co+3].[H][C-]=C
InChIInChI=1S/C40H24N8.C2H3.Co/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;1-2;/h1-24H;1H,2H2;/q-2;-1;+3/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;
InChIKeyPCQZNAPXWCGMNL-NGRCPIEASA-N
XLogP8.76
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500702.67
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

nickel(3+);bis(pyridine);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 165365898
bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 11981949
nickel(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
copper(1+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 5260273
osmium(2+);5,10,15,20-tetrakis(4-methylphenyl)porphyrin-22,24-diide
CID 10213009
CID 170997510
CID 170997510
manganese(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 636232
silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721
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
cobalt(3+);prop-1-en-2-olate;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 50921065
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

Frequently Asked Questions

What is the IUPAC name of cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide?
The IUPAC name of cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide (CID 155720987) is cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide.
What is the SMILES notation for cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide?
The canonical SMILES for cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide is C1=Cc2nc1c(-c1ccncc1)c1ccc([n-]1)c(-c1ccncc1)c1nc(c(-c3ccncc3)c3ccc([n-]3)c2-c2ccncc2)C=C1.[Co+3].[H][C-]=C.
What is the InChIKey of cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide?
The InChIKey is PCQZNAPXWCGMNL-NGRCPIEASA-N. The full InChI is InChI=1S/C40H24N8.C2H3.Co/c1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;1-2;/h1-24H;1H,2H2;/q-2;-1;+3/b37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;.
What are the key properties of cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide?
cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide has a molecular weight of 702.67 g/mol, XLogP of 8.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide is sourced from PubChem (CID 155720987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).