bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide

C68H48N8Ru — CID 11981949

IUPACbis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
SMILESC(=C/c1ccncc1)\c1ccncc1.C(=C/c1ccncc1)\c1ccncc1.C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Ru+2]
InChIInChI=1S/C44H28N4.2C12H10N2.Ru/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;/h1-28H;2*1-10H;/q-2;;;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;2*2-1+;
InChIKeyCGGZPQIBEYPCQZ-HBQHYANTSA-N
MW1078.26 g/mol
LogP15.87
Rot. Bonds8

About bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide

bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide (PubChem CID 11981949) has the molecular formula C68H48N8Ru and a molecular weight of 1078.26 g/mol. Its IUPAC name is bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide.

Molecular Properties

Compound Namebis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
PubChem CID11981949
Molecular FormulaC68H48N8Ru
Molecular Weight1078.26 g/mol
Exact Mass1078.30
IUPAC Namebis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
SMILESC(=C/c1ccncc1)\c1ccncc1.C(=C/c1ccncc1)\c1ccncc1.C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Ru+2]
InChIInChI=1S/C44H28N4.2C12H10N2.Ru/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;/h1-28H;2*1-10H;/q-2;;;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;2*2-1+;
InChIKeyCGGZPQIBEYPCQZ-HBQHYANTSA-N
XLogP15.87
TPSA105.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001078.26
LogP ≤ 515.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

silver;5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 129011721
nickel(3+);bis(pyridine);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 165365898
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+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 3732295
copper(1+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 5260273
manganese(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide
CID 636232
CID 170997510
CID 170997510
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
cobalt(3+);ethene;5,10,15,20-tetrapyridin-4-ylporphyrin-22,24-diide
CID 155720987
ethanol;bis(ruthenium(2+));bis(5,10,15,20-tetraphenylporphyrin-22,24-diide);hydrate
CID 11982081

Frequently Asked Questions

What is the IUPAC name of bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide?
The IUPAC name of bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide (CID 11981949) is bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide.
What is the SMILES notation for bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide?
The canonical SMILES for bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide is C(=C/c1ccncc1)\c1ccncc1.C(=C/c1ccncc1)\c1ccncc1.C1=Cc2nc1c(-c1ccccc1)c1ccc([n-]1)c(-c1ccccc1)c1nc(c(-c3ccccc3)c3ccc([n-]3)c2-c2ccccc2)C=C1.[Ru+2].
What is the InChIKey of bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide?
The InChIKey is CGGZPQIBEYPCQZ-HBQHYANTSA-N. The full InChI is InChI=1S/C44H28N4.2C12H10N2.Ru/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;2*1(11-3-7-13-8-4-11)2-12-5-9-14-10-6-12;/h1-28H;2*1-10H;/q-2;;;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-;2*2-1+;.
What are the key properties of bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide?
bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide has a molecular weight of 1078.26 g/mol, XLogP of 15.87, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[(E)-2-pyridin-4-ylethenyl]pyridine);ruthenium(2+);5,10,15,20-tetraphenylporphyrin-22,24-diide is sourced from PubChem (CID 11981949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).