bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium

C76H56N6O2Ru — CID 156734938

IUPACbis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium
SMILESCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C28H24N2O2.2C24H16N2.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*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;/h3-20H,1-2H3;2*1-16H;/b5-3+,6-4+;;;
InChIKeyCQQNXLDUEOTVMF-VHJGTCNUSA-N
MW1186.39 g/mol
LogP18.73
Rot. Bonds11

About bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium

bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium (PubChem CID 156734938) has the molecular formula C76H56N6O2Ru and a molecular weight of 1186.39 g/mol. Its IUPAC name is bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium.

Molecular Properties

Compound Namebis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium
PubChem CID156734938
Molecular FormulaC76H56N6O2Ru
Molecular Weight1186.39 g/mol
Exact Mass1186.35
IUPAC Namebis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium
SMILESCOc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1
InChIInChI=1S/C28H24N2O2.2C24H16N2.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*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;/h3-20H,1-2H3;2*1-16H;/b5-3+,6-4+;;;
InChIKeyCQQNXLDUEOTVMF-VHJGTCNUSA-N
XLogP18.73
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms85
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001186.39
LogP ≤ 518.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5289251
2-benzyl-1-[(E)-2-(4-methoxyphenyl)ethenyl]-9-(3-phenylpropyl)pyrido[3,4-b]indol-2-ium bromide
CID 25154820
3-(1-Ethylindol-3-yl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137632820
3-(1-Hexylindol-3-yl)-1-(4-methoxyphenyl)benzo[f][1,7]naphthyridine
CID 137659941
7-Methoxy-2-[[4-[(7-methoxy-1,9-dimethylpyrido[3,4-b]indol-2-ium-2-yl)methyl]phenyl]methyl]-1,9-dimethylpyrido[3,4-b]indol-2-ium dibromide
CID 127045955
Bis(2,9-bis(p-methoxyphenyl)-1,10-phenanthroline)copper(1+) chloride
CID 117065415
(T-4)-Copper(1+), bis[2,9-bis(4-methoxyphenyl)-1,10-phenanthroline-kappaN1,kappaN10]-, chloride
CID 138108253
4-(4-Methoxyphenyl)-2-[4-(trifluoromethyl)phenyl]-1,5-naphthyridine
CID 139095340
4,7-Bis(4-methoxyphenyl)-1,10-phenanthroline
CID 57356965
2-(p-Anisyl)-1,10-phenanthroline
CID 101566236
1-(4-Methoxyphenyl)-3-[[4-[[1-(4-methoxyphenyl)-9-methylpyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-9-methylpyrido[3,4-b]indole
CID 127028756
9-Butyl-3-[[4-[[9-butyl-1-(4-methoxyphenyl)pyrido[3,4-b]indol-3-yl]methyl]piperazin-1-yl]methyl]-1-(4-methoxyphenyl)pyrido[3,4-b]indole
CID 127028757

Frequently Asked Questions

What is the IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium?
The IUPAC name of bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium (CID 156734938) is bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium.
What is the SMILES notation for bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium?
The canonical SMILES for bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium is COc1ccc(/C=C/c2ccnc(-c3cc(/C=C/c4ccc(OC)cc4)ccn3)c2)cc1.[Ru].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.
What is the InChIKey of bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium?
The InChIKey is CQQNXLDUEOTVMF-VHJGTCNUSA-N. The full InChI is InChI=1S/C28H24N2O2.2C24H16N2.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*1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;/h3-20H,1-2H3;2*1-16H;/b5-3+,6-4+;;;.
What are the key properties of bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium?
bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium has a molecular weight of 1186.39 g/mol, XLogP of 18.73, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,7-diphenyl-1,10-phenanthroline);4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;ruthenium is sourced from PubChem (CID 156734938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).