bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium

C90H76N10O14Ru — CID 158480461

IUPACbis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(-c2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)OC)ccn2)c1.COC(=O)c1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1.COC(=O)c1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C36H32N6O6.2C17H14O4.2C10H8N2.Ru/c1-47-35(45)31(17-23-19-39-27-9-5-3-7-25(23)27)41-33(43)21-11-13-37-29(15-21)30-16-22(12-14-38-30)34(44)42-32(36(46)48-2)18-24-20-40-28-10-6-4-8-26(24)28;2*1-21-17(20)15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(18)19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-16,19-20,31-32,39-40H,17-18H2,1-2H3,(H,41,43)(H,42,44);2*2-11H,1H3,(H,18,19);2*1-8H;/b;2*3-2+;;;
InChIKeyHHLNNWGYICDXPV-UGZDMAQRSA-N
MW1622.72 g/mol
LogP15.10
Rot. Bonds21

About bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium

bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 158480461) has the molecular formula C90H76N10O14Ru and a molecular weight of 1622.72 g/mol. Its IUPAC name is bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound Namebis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID158480461
Molecular FormulaC90H76N10O14Ru
Molecular Weight1622.72 g/mol
Exact Mass1622.46
IUPAC Namebis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(-c2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)OC)ccn2)c1.COC(=O)c1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1.COC(=O)c1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C36H32N6O6.2C17H14O4.2C10H8N2.Ru/c1-47-35(45)31(17-23-19-39-27-9-5-3-7-25(23)27)41-33(43)21-11-13-37-29(15-21)30-16-22(12-14-38-30)34(44)42-32(36(46)48-2)18-24-20-40-28-10-6-4-8-26(24)28;2*1-21-17(20)15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(18)19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-16,19-20,31-32,39-40H,17-18H2,1-2H3,(H,41,43)(H,42,44);2*2-11H,1H3,(H,18,19);2*1-8H;/b;2*3-2+;;;
InChIKeyHHLNNWGYICDXPV-UGZDMAQRSA-N
XLogP15.10
TPSA346.92 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds21
Heavy Atoms115
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001622.72
LogP ≤ 515.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium (CID 158480461) is bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium is COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccnc(-c2cc(C(=O)NC(Cc3c[nH]c4ccccc34)C(=O)OC)ccn2)c1.COC(=O)c1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1.COC(=O)c1ccc(/C=C/c2ccc(C(=O)O)cc2)cc1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is HHLNNWGYICDXPV-UGZDMAQRSA-N. The full InChI is InChI=1S/C36H32N6O6.2C17H14O4.2C10H8N2.Ru/c1-47-35(45)31(17-23-19-39-27-9-5-3-7-25(23)27)41-33(43)21-11-13-37-29(15-21)30-16-22(12-14-38-30)34(44)42-32(36(46)48-2)18-24-20-40-28-10-6-4-8-26(24)28;2*1-21-17(20)15-10-6-13(7-11-15)3-2-12-4-8-14(9-5-12)16(18)19;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-16,19-20,31-32,39-40H,17-18H2,1-2H3,(H,41,43)(H,42,44);2*2-11H,1H3,(H,18,19);2*1-8H;/b;2*3-2+;;;.
What are the key properties of bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium?
bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 1622.72 g/mol, XLogP of 15.10, 21 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-[(E)-2-(4-methoxycarbonylphenyl)ethenyl]benzoic acid);methyl 3-(1H-indol-3-yl)-2-[[2-[4-[[3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-2-pyridinyl]pyridine-4-carbonyl]amino]propanoate;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 158480461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).