6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one

C131H115Eu2F5Ir2N10O8PtS-2 — CID 158278170

IUPAC6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Fc1[c-]c(-c2nc3ccccc3c3ccccc23)cc(F)c1.O=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)c1ccccc1)c1ccccc1.[Eu].[Eu].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1nc2ccccc2c2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C36H44N4.C19H10F2N.C19H12N.C15H12O2.2C12H8N2.C8H5F3O2S.2C5H8O2.2Eu.2Ir.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;20-13-9-12(10-14(21)11-13)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)22-19;1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;2*1-4(6)3-5(2)7;;;;;/h17-20H,9-16H2,1-8H3;1-9,11H;1-8,10-13H;1-11,16H;2*1-8H;1-4,13H;2*3,6H,1-2H3;;;;;/q-2;2*-1;;;;;;;;;;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;
InChIKeyZFCLEWRCRYADOB-JHYFZQGDSA-N
MW2967.92 g/mol
LogP33.31
Rot. Bonds17

About 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one

6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one (PubChem CID 158278170) has the molecular formula C131H115Eu2F5Ir2N10O8PtS-2 and a molecular weight of 2967.92 g/mol. Its IUPAC name is 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one.

Molecular Properties

Compound Name6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
PubChem CID158278170
Molecular FormulaC131H115Eu2F5Ir2N10O8PtS-2
Molecular Weight2967.92 g/mol
Exact Mass2969.59
IUPAC Name6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one
SMILESCC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Fc1[c-]c(-c2nc3ccccc3c3ccccc23)cc(F)c1.O=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)c1ccccc1)c1ccccc1.[Eu].[Eu].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1nc2ccccc2c2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12
InChIInChI=1S/C36H44N4.C19H10F2N.C19H12N.C15H12O2.2C12H8N2.C8H5F3O2S.2C5H8O2.2Eu.2Ir.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;20-13-9-12(10-14(21)11-13)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)22-19;1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;2*1-4(6)3-5(2)7;;;;;/h17-20H,9-16H2,1-8H3;1-9,11H;1-8,10-13H;1-11,16H;2*1-8H;1-4,13H;2*3,6H,1-2H3;;;;;/q-2;2*-1;;;;;;;;;;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;
InChIKeyZFCLEWRCRYADOB-JHYFZQGDSA-N
XLogP33.31
TPSA280.52 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds17
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002967.92
LogP ≤ 533.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one?
The IUPAC name of 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one (CID 158278170) is 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one.
What is the SMILES notation for 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one?
The canonical SMILES for 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one is CC(=O)C=C(C)O.CC(=O)C=C(C)O.CCC1=C(CC)c2cc3[n-]c(cc4nc(cc5[n-]c(cc1n2)c(CC)c5CC)C(CC)=C4CC)c(CC)c3CC.Fc1[c-]c(-c2nc3ccccc3c3ccccc23)cc(F)c1.O=C(C=C(O)C(F)(F)F)c1cccs1.O=C(C=C(O)c1ccccc1)c1ccccc1.[Eu].[Eu].[Ir].[Ir].[Pt+2].[c-]1ccccc1-c1nc2ccccc2c2ccccc12.c1cnc2c(c1)ccc1cccnc12.c1cnc2c(c1)ccc1cccnc12.
What is the InChIKey of 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one?
The InChIKey is ZFCLEWRCRYADOB-JHYFZQGDSA-N. The full InChI is InChI=1S/C36H44N4.C19H10F2N.C19H12N.C15H12O2.2C12H8N2.C8H5F3O2S.2C5H8O2.2Eu.2Ir.Pt/c1-9-21-22(10-2)30-18-32-25(13-5)26(14-6)34(39-32)20-36-28(16-8)27(15-7)35(40-36)19-33-24(12-4)23(11-3)31(38-33)17-29(21)37-30;20-13-9-12(10-14(21)11-13)19-17-7-2-1-5-15(17)16-6-3-4-8-18(16)22-19;1-2-8-14(9-3-1)19-17-12-5-4-10-15(17)16-11-6-7-13-18(16)20-19;16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13;2*1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;9-8(10,11)7(13)4-5(12)6-2-1-3-14-6;2*1-4(6)3-5(2)7;;;;;/h17-20H,9-16H2,1-8H3;1-9,11H;1-8,10-13H;1-11,16H;2*1-8H;1-4,13H;2*3,6H,1-2H3;;;;;/q-2;2*-1;;;;;;;;;;;+2/b29-17-,30-18-,31-17-,32-18-,33-19-,34-20-,35-19-,36-20-;;;;;;;;;;;;;.
What are the key properties of 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one?
6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one has a molecular weight of 2967.92 g/mol, XLogP of 33.31, 17 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorobenzene-6-id-1-yl)phenanthridine;europium;3-hydroxy-1,3-diphenylprop-2-en-1-one;bis(4-hydroxypent-3-en-2-one);bis(iridium);2,3,7,8,12,13,17,18-octaethylporphyrin-22,24-diide;bis(1,10-phenanthroline);6-phenylphenanthridine;platinum(2+);4,4,4-trifluoro-3-hydroxy-1-thiophen-2-ylbut-2-en-1-one is sourced from PubChem (CID 158278170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).