5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

C43H36N8ORu — CID 140567733

IUPAC5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESCOc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChIInChI=1S/C18H14N4.C13H10N2O.C12H12N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;1-16-11-8-9-4-2-6-14-12(9)13-10(11)5-3-7-15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h3-6,9-10H,1-2,7-8H2;2-8H,1H3;3-8H,1-2H3;
InChIKeyRYXHGDQWDPDSGE-UHFFFAOYSA-N
MW781.89 g/mol
LogP9.15
Rot. Bonds2

About 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline

5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (PubChem CID 140567733) has the molecular formula C43H36N8ORu and a molecular weight of 781.89 g/mol. Its IUPAC name is 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.

Molecular Properties

Compound Name5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
PubChem CID140567733
Molecular FormulaC43H36N8ORu
Molecular Weight781.89 g/mol
Exact Mass782.21
IUPAC Name5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline
SMILESCOc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3
InChIInChI=1S/C18H14N4.C13H10N2O.C12H12N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;1-16-11-8-9-4-2-6-14-12(9)13-10(11)5-3-7-15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h3-6,9-10H,1-2,7-8H2;2-8H,1H3;3-8H,1-2H3;
InChIKeyRYXHGDQWDPDSGE-UHFFFAOYSA-N
XLogP9.15
TPSA112.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500781.89
LogP ≤ 59.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2-methylquinoline
CID 12004197
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-3-methylquinoline
CID 12004199
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-4-methylquinoline
CID 12004200
8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl}-2,4-dimethylquinoline
CID 12004201
6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-piperazinyl}quinoline
CID 16091081
N,N-dimethyl-3-[4-(1,10-phenanthrolin-4-yl)butoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 5289251
4-methoxy-11-methyl-3H-pyrrolo[3,2-c][1,10]phenanthroline
CID 44587499
22,22-Dimethyl-23-oxa-2,8,11,17-tetrazaheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),2,4(9),5,7,10(15),11,13,16,19(24),25,27,29-tridecaene
CID 155534290
6,6-Dimethyl-7-oxa-2,16,22,25-tetrazaheptacyclo[15.12.0.03,15.04,8.09,14.018,23.024,29]nonacosa-1,3(15),4(8),9,11,13,16,18(23),19,21,24(29),25,27-tridecaene
CID 155531069
8-Fluoro-7-[4-[4-(6-methoxyquinolin-8-yl)piperazin-1-yl]piperidin-1-yl]quinoline
CID 12004251
N,N-dimethyl-3-[5-(1,10-phenanthrolin-4-yl)pentoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058672
N,N-dimethyl-3-[6-(1,10-phenanthrolin-4-yl)hexoxy]aniline;bis(2-pyridin-2-ylpyridine);ruthenium
CID 16058674

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The IUPAC name of 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline (CID 140567733) is 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline.
What is the SMILES notation for 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The canonical SMILES for 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is COc1cc2cccnc2c2ncccc12.Cc1ccnc(-c2cc(C)ccn2)c1.[Ru].c1cnc2c(c1)c1nc3c(nc1c1cccnc12)CCCC3.
What is the InChIKey of 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
The InChIKey is RYXHGDQWDPDSGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4.C13H10N2O.C12H12N2.Ru/c1-2-8-14-13(7-1)21-17-11-5-3-9-19-15(11)16-12(18(17)22-14)6-4-10-20-16;1-16-11-8-9-4-2-6-14-12(9)13-10(11)5-3-7-15-13;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h3-6,9-10H,1-2,7-8H2;2-8H,1H3;3-8H,1-2H3;.
What are the key properties of 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline?
5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline has a molecular weight of 781.89 g/mol, XLogP of 9.15, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,10-phenanthroline;4-methyl-2-(4-methyl-2-pyridinyl)pyridine;ruthenium;10,11,12,13-tetrahydroquinoxalino[2,3-f][1,10]phenanthroline is sourced from PubChem (CID 140567733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).