4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium

C44H36N10O2Ru — CID 166511370

IUPAC4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
SMILESCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.[Ru].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/C28H24N2O2.2C8H6N4.Ru/c1-31-25-11-7-21(8-12-25)3-5-23-15-17-29-27(19-23)28-20-24(16-18-30-28)6-4-22-9-13-26(32-2)14-10-22;2*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h3-20H,1-2H3;2*1-6H;/b5-3+,6-4+;;;
InChIKeyOBBFMMQTGDNSTH-VHJGTCNUSA-N
MW837.91 g/mol
LogP8.37
Rot. Bonds9

About 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium

4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium (PubChem CID 166511370) has the molecular formula C44H36N10O2Ru and a molecular weight of 837.91 g/mol. Its IUPAC name is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium.

Molecular Properties

Compound Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
PubChem CID166511370
Molecular FormulaC44H36N10O2Ru
Molecular Weight837.91 g/mol
Exact Mass838.21
IUPAC Name4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium
SMILESCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.[Ru].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1
InChIInChI=1S/C28H24N2O2.2C8H6N4.Ru/c1-31-25-11-7-21(8-12-25)3-5-23-15-17-29-27(19-23)28-20-24(16-18-30-28)6-4-22-9-13-26(32-2)14-10-22;2*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h3-20H,1-2H3;2*1-6H;/b5-3+,6-4+;;;
InChIKeyOBBFMMQTGDNSTH-VHJGTCNUSA-N
XLogP8.37
TPSA147.36 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500837.91
LogP ≤ 58.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Related Compounds

4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-[4-[(Z)-2-(3-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 97104200
2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59005134
4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-[4-[(E)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethenyl]-2-pyridinyl]pyridine
CID 102087576
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;[4-[(E)-2-[2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]methanol;2-pyridin-2-ylpyridine;ruthenium
CID 166511335
4-(2-pyridin-4-ylethenyl)-2-[4-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyridine
CID 154284100
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
2-(4-methyl-2-pyridinyl)-4-[(E)-2-[4-(5-pyridin-4-yloxypentoxy)phenyl]ethenyl]pyridine
CID 102322507
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955
4-methoxy-2-pyrazin-2-ylbenzaldehyde
CID 22216617
1,2-dichloro-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 122615244
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium?
The IUPAC name of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium (CID 166511370) is 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium.
What is the SMILES notation for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium?
The canonical SMILES for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium is COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.[Ru].c1cnc(-c2cnccn2)cn1.c1cnc(-c2cnccn2)cn1.
What is the InChIKey of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium?
The InChIKey is OBBFMMQTGDNSTH-VHJGTCNUSA-N. The full InChI is InChI=1S/C28H24N2O2.2C8H6N4.Ru/c1-31-25-11-7-21(8-12-25)3-5-23-15-17-29-27(19-23)28-20-24(16-18-30-28)6-4-22-9-13-26(32-2)14-10-22;2*1-3-11-7(5-9-1)8-6-10-2-4-12-8;/h3-20H,1-2H3;2*1-6H;/b5-3+,6-4+;;;.
What are the key properties of 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium?
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium has a molecular weight of 837.91 g/mol, XLogP of 8.37, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;bis(2-pyrazin-2-ylpyrazine);ruthenium is sourced from PubChem (CID 166511370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).