bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium

C101H72N16O9Ru — CID 158334015

IUPACbis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCc1ccc2c(c1)C(=O)C(C=O)CO2.Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C23H16N4O2.C12H6N2O2.C12H8N2.C11H10O3.2C10H8N2.Ru/c2*1-12-6-7-17-15(10-12)22(28)16(11-29-17)23-26-20-13-4-2-8-24-18(13)19-14(21(20)27-23)5-3-9-25-19;15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-10,16H,11H2,1H3,(H,26,27);1-6H;1-8H;2-5,8H,6H2,1H3;2*1-8H;
InChIKeyGQIZYROZBWSDFE-UHFFFAOYSA-N
MW1754.86 g/mol
LogP18.63
Rot. Bonds5

About bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium

bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 158334015) has the molecular formula C101H72N16O9Ru and a molecular weight of 1754.86 g/mol. Its IUPAC name is bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Namebis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID158334015
Molecular FormulaC101H72N16O9Ru
Molecular Weight1754.86 g/mol
Exact Mass1754.47
IUPAC Namebis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCc1ccc2c(c1)C(=O)C(C=O)CO2.Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/2C23H16N4O2.C12H6N2O2.C12H8N2.C11H10O3.2C10H8N2.Ru/c2*1-12-6-7-17-15(10-12)22(28)16(11-29-17)23-26-20-13-4-2-8-24-18(13)19-14(21(20)27-23)5-3-9-25-19;15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-10,16H,11H2,1H3,(H,26,27);1-6H;1-8H;2-5,8H,6H2,1H3;2*1-8H;
InChIKeyGQIZYROZBWSDFE-UHFFFAOYSA-N
XLogP18.63
TPSA342.15 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds5
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001754.86
LogP ≤ 518.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium with MolForge

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Related Compounds

3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-1H-quinolin-2-one
CID 86297686
methane;2-methyl-1H-indole-3-carbaldehyde;2-(2-methyl-1H-indol-3-yl)-1H-imidazo[4,5-f][1,10]phenanthroline;1,10-phenanthroline-5,6-dione
CID 159628380
3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-propan-2-yl-1H-quinolin-2-one;methane;3-oxo-7-propan-2-yl-4H-naphthalene-2-carbaldehyde;1,10-phenanthroline-5,6-dione
CID 158147687
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;bis(1,10-phenanthroline);ruthenium
CID 155747317
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-N,N-dimethylaniline
CID 175822709
2-(4-methylphenoxy)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 46866550
2-[(E)-2-bromoethenyl]-1H-imidazo[4,5-f][1,10]phenanthroline
CID 175295426
8-pyridin-2-ylquinoline
CID 10982041
6-methyl-4-quinolin-8-yl-1H-pyrimidin-2-one
CID 106519681
3-hydroxy-6-methyl-2,3-dihydrochromen-4-one
CID 67687788
2-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methoxyphenol
CID 135589912
11,12-dimethoxyquinoxalino[2,3-f][1,10]phenanthroline;bis(1,10-phenanthroline);ruthenium(2+)
CID 139247806

Frequently Asked Questions

What is the IUPAC name of bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium (CID 158334015) is bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium is Cc1ccc2c(c1)C(=O)C(C=O)CO2.Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.Cc1ccc2c(c1)C(=O)C(c1nc3c4cccnc4c4ncccc4c3[nH]1)CO2.O=C1C(=O)c2cccnc2-c2ncccc21.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is GQIZYROZBWSDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H16N4O2.C12H6N2O2.C12H8N2.C11H10O3.2C10H8N2.Ru/c2*1-12-6-7-17-15(10-12)22(28)16(11-29-17)23-26-20-13-4-2-8-24-18(13)19-14(21(20)27-23)5-3-9-25-19;15-11-7-3-1-5-13-9(7)10-8(12(11)16)4-2-6-14-10;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-7-2-3-10-9(4-7)11(13)8(5-12)6-14-10;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2*2-10,16H,11H2,1H3,(H,26,27);1-6H;1-8H;2-5,8H,6H2,1H3;2*1-8H;.
What are the key properties of bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium?
bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1754.86 g/mol, XLogP of 18.63, 5 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)-6-methyl-2,3-dihydrochromen-4-one);6-methyl-4-oxo-2,3-dihydrochromene-3-carbaldehyde;1,10-phenanthroline;1,10-phenanthroline-5,6-dione;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 158334015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).