sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide

C125H118F12N13NaO19Rh2 — CID 158325009

IUPACsodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide
SMILESCCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1-c1ccccc1.CCOC(=O)OC(=O)/C=C/c1ccc(CC)n1Cc1ccccc1-c1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/OCO)n1Cc1ccccc1-c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[N-]=[N+]=[N-].[Na+].[Rh].[Rh]
InChIInChI=1S/C26H26N2O3.C25H25NO4.C22H20N4O.C22H20N2O.C22H23NO2.4C2HF3O2.N3.Na.2Rh/c1-3-21-16-23-24(14-15-27-26(23)31-18-25(29)30-4-2)28(21)17-20-12-8-9-13-22(20)19-10-6-5-7-11-19;1-3-21-14-15-22(16-17-24(27)30-25(28)29-4-2)26(21)18-20-12-8-9-13-23(20)19-10-6-5-7-11-19;1-2-19-12-13-20(14-15-22(27)24-25-23)26(19)16-18-10-6-7-11-21(18)17-8-4-3-5-9-17;1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16;1-2-20-12-13-21(14-15-25-17-24)23(20)16-19-10-6-7-11-22(19)18-8-4-3-5-9-18;4*3-2(4,5)1(6)7;1-3-2;;;/h5-16H,3-4,17-18H2,1-2H3;5-17H,3-4,18H2,1-2H3;3-15H,2,16H2,1H3;3-14H,2,15H2,1H3,(H,23,25);3-15,24H,2,16-17H2,1H3;4*(H,6,7);;;;/q;;;;;;;;;-1;+1;;/b;17-16+;15-14+;;15-14+;;;;;;;;
InChIKeyBPQDYRJVBSLKIV-YYNUONKCSA-N
MW2563.17 g/mol
LogP26.06
Rot. Bonds32

About sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide

sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide (PubChem CID 158325009) has the molecular formula C125H118F12N13NaO19Rh2 and a molecular weight of 2563.17 g/mol. Its IUPAC name is sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide.

Molecular Properties

Compound Namesodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide
PubChem CID158325009
Molecular FormulaC125H118F12N13NaO19Rh2
Molecular Weight2563.17 g/mol
Exact Mass2561.65
IUPAC Namesodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide
SMILESCCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1-c1ccccc1.CCOC(=O)OC(=O)/C=C/c1ccc(CC)n1Cc1ccccc1-c1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/OCO)n1Cc1ccccc1-c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[N-]=[N+]=[N-].[Na+].[Rh].[Rh]
InChIInChI=1S/C26H26N2O3.C25H25NO4.C22H20N4O.C22H20N2O.C22H23NO2.4C2HF3O2.N3.Na.2Rh/c1-3-21-16-23-24(14-15-27-26(23)31-18-25(29)30-4-2)28(21)17-20-12-8-9-13-22(20)19-10-6-5-7-11-19;1-3-21-14-15-22(16-17-24(27)30-25(28)29-4-2)26(21)18-20-12-8-9-13-23(20)19-10-6-5-7-11-19;1-2-19-12-13-20(14-15-22(27)24-25-23)26(19)16-18-10-6-7-11-21(18)17-8-4-3-5-9-17;1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16;1-2-20-12-13-21(14-15-25-17-24)23(20)16-19-10-6-7-11-22(19)18-8-4-3-5-9-18;4*3-2(4,5)1(6)7;1-3-2;;;/h5-16H,3-4,17-18H2,1-2H3;5-17H,3-4,18H2,1-2H3;3-15H,2,16H2,1H3;3-14H,2,15H2,1H3,(H,23,25);3-15,24H,2,16-17H2,1H3;4*(H,6,7);;;;/q;;;;;;;;;-1;+1;;/b;17-16+;15-14+;;15-14+;;;;;;;;
InChIKeyBPQDYRJVBSLKIV-YYNUONKCSA-N
XLogP26.06
TPSA461.72 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002563.17
LogP ≤ 526.06
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide with MolForge

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Frequently Asked Questions

What is the IUPAC name of sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide?
The IUPAC name of sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide (CID 158325009) is sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide.
What is the SMILES notation for sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide?
The canonical SMILES for sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide is CCOC(=O)COc1nccc2c1cc(CC)n2Cc1ccccc1-c1ccccc1.CCOC(=O)OC(=O)/C=C/c1ccc(CC)n1Cc1ccccc1-c1ccccc1.CCc1cc2c(=O)[nH]ccc2n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/C(=O)N=[N+]=[N-])n1Cc1ccccc1-c1ccccc1.CCc1ccc(/C=C/OCO)n1Cc1ccccc1-c1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[N-]=[N+]=[N-].[Na+].[Rh].[Rh].
What is the InChIKey of sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide?
The InChIKey is BPQDYRJVBSLKIV-YYNUONKCSA-N. The full InChI is InChI=1S/C26H26N2O3.C25H25NO4.C22H20N4O.C22H20N2O.C22H23NO2.4C2HF3O2.N3.Na.2Rh/c1-3-21-16-23-24(14-15-27-26(23)31-18-25(29)30-4-2)28(21)17-20-12-8-9-13-22(20)19-10-6-5-7-11-19;1-3-21-14-15-22(16-17-24(27)30-25(28)29-4-2)26(21)18-20-12-8-9-13-23(20)19-10-6-5-7-11-19;1-2-19-12-13-20(14-15-22(27)24-25-23)26(19)16-18-10-6-7-11-21(18)17-8-4-3-5-9-17;1-2-18-14-20-21(12-13-23-22(20)25)24(18)15-17-10-6-7-11-19(17)16-8-4-3-5-9-16;1-2-20-12-13-21(14-15-25-17-24)23(20)16-19-10-6-7-11-22(19)18-8-4-3-5-9-18;4*3-2(4,5)1(6)7;1-3-2;;;/h5-16H,3-4,17-18H2,1-2H3;5-17H,3-4,18H2,1-2H3;3-15H,2,16H2,1H3;3-14H,2,15H2,1H3,(H,23,25);3-15,24H,2,16-17H2,1H3;4*(H,6,7);;;;/q;;;;;;;;;-1;+1;;/b;17-16+;15-14+;;15-14+;;;;;;;;.
What are the key properties of sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide?
sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide has a molecular weight of 2563.17 g/mol, XLogP of 26.06, 32 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;ethoxycarbonyl (E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoate;ethyl 2-[2-ethyl-1-[(2-phenylphenyl)methyl]pyrrolo[3,2-c]pyridin-4-yl]oxyacetate;2-ethyl-1-[(2-phenylphenyl)methyl]-5H-pyrrolo[3,2-c]pyridin-4-one;[(E)-2-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]ethenoxy]methanol;(E)-3-[5-ethyl-1-[(2-phenylphenyl)methyl]pyrrol-2-yl]prop-2-enoyl azide;bis(rhodium);tetrakis(2,2,2-trifluoroacetic acid);azide is sourced from PubChem (CID 158325009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).