4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium

C47H37N7O2Ru — CID 162020109

IUPAC4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium
SMILESCOc1ccc(/C=C/c2ccncn2)c(OC)c1.[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2.C15H11N3.C14H14N2O2.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;/h1-12H;1-11H;3-10H,1-2H3;/b;;5-3+;
InChIKeyYUQIVDQFSGRPKB-SXMYUENQSA-N
MW832.93 g/mol
LogP10.32
Rot. Bonds7

About 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium

4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium (PubChem CID 162020109) has the molecular formula C47H37N7O2Ru and a molecular weight of 832.93 g/mol. Its IUPAC name is 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium.

Molecular Properties

Compound Name4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium
PubChem CID162020109
Molecular FormulaC47H37N7O2Ru
Molecular Weight832.93 g/mol
Exact Mass833.21
IUPAC Name4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium
SMILESCOc1ccc(/C=C/c2ccncn2)c(OC)c1.[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1
InChIInChI=1S/C18H12N2.C15H11N3.C14H14N2O2.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;/h1-12H;1-11H;3-10H,1-2H3;/b;;5-3+;
InChIKeyYUQIVDQFSGRPKB-SXMYUENQSA-N
XLogP10.32
TPSA108.69 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500832.93
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium 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

[4-[7-Fluoro-8-(2-methoxy-4-pyrimidin-2-yloxyphenyl)imidazo[4,5-c]quinolin-1-yl]-4-methylpiperidin-1-yl]methanamine
CID 129077145
(4S)-2-[4-[[2,6-dimethoxy-4-[4-[5-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)pentylamino]-3-(trifluoromethyl)-1H-pyrrolo[3,2-c]pyridin-7-yl]phenyl]methylamino]-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]-1-methyl-N-[5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-3,4-dihydro-2H-quinolin-4-amine
CID 167078705
8-(2,4-Dimethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoline
CID 24733452
4-(1-Benzylindol-3-yl)-5,7-dimethoxyquinazoline
CID 17938628
2-[6-(2,4-Dimethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688258
2-[6-(2,6-Dimethoxyphenyl)-2-pyridinyl]quinazoline
CID 67688481
2-[6-(2,4-Dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688545
2-[6-(2,6-Dimethoxyphenyl)-5-methyl-2-pyridinyl]quinazoline
CID 67688889
Tert-butyl 4-[5-cyclobutyl-2-[7-[(2,4-dimethoxyphenyl)methyl]-4-methyl-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaen-12-yl]pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 118388125
Tert-butyl 4-[5-(cyclobutadienyl)-2-[7-[(2,4-dimethoxyphenyl)methyl]-4-methyl-2,5,7,9-tetrazatricyclo[6.4.0.02,6]dodeca-1(12),3,5,8,10-pentaen-12-yl]pyrido[3,4-d]pyrimidin-4-yl]piperazine-1-carboxylate
CID 118388127
2-[3-[4-(2,6-dimethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153413004
2-[3-[3,5-ditert-butyl-4-(2,4,6-trimethoxyphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;platinum(2+)
CID 153415944

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium?
The IUPAC name of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium (CID 162020109) is 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium.
What is the SMILES notation for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium?
The canonical SMILES for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium is COc1ccc(/C=C/c2ccncn2)c(OC)c1.[Ru].c1ccc(-c2cccc(-c3ccccn3)n2)nc1.c1ccc2nc(-c3ccc4ccccc4n3)ccc2c1.
What is the InChIKey of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium?
The InChIKey is YUQIVDQFSGRPKB-SXMYUENQSA-N. The full InChI is InChI=1S/C18H12N2.C15H11N3.C14H14N2O2.Ru/c1-3-7-15-13(5-1)9-11-17(19-15)18-12-10-14-6-2-4-8-16(14)20-18;1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-17-13-6-4-11(14(9-13)18-2)3-5-12-7-8-15-10-16-12;/h1-12H;1-11H;3-10H,1-2H3;/b;;5-3+;.
What are the key properties of 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium?
4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium has a molecular weight of 832.93 g/mol, XLogP of 10.32, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]pyrimidine;2,6-dipyridin-2-ylpyridine;2-quinolin-2-ylquinoline;ruthenium is sourced from PubChem (CID 162020109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).