6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene

C61H49EuF3O6P2 — CID 177066061

IUPAC6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
SMILESC=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc(=O)c(C(=O)C(F)(F)F)c(O)c4c3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C26H17F3O4.C18H15OP.C17H17OP.Eu/c1-25(2)18-6-4-3-5-15(18)16-9-7-14(12-19(16)25)13-8-10-20-17(11-13)22(30)21(24(32)33-20)23(31)26(27,28)29;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h3-12,30H,1-2H3;1-15H;3-14H,1H2,2H3;/b;;15-4+;
InChIKeyFWVIMIJDJXNXDA-RWXSGFKMSA-N
MW1148.96 g/mol
LogP13.63
Rot. Bonds9

About 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene

6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (PubChem CID 177066061) has the molecular formula C61H49EuF3O6P2 and a molecular weight of 1148.96 g/mol. Its IUPAC name is 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.

Molecular Properties

Compound Name6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
PubChem CID177066061
Molecular FormulaC61H49EuF3O6P2
Molecular Weight1148.96 g/mol
Exact Mass1149.22
IUPAC Name6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
SMILESC=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc(=O)c(C(=O)C(F)(F)F)c(O)c4c3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu]
InChIInChI=1S/C26H17F3O4.C18H15OP.C17H17OP.Eu/c1-25(2)18-6-4-3-5-15(18)16-9-7-14(12-19(16)25)13-8-10-20-17(11-13)22(30)21(24(32)33-20)23(31)26(27,28)29;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h3-12,30H,1-2H3;1-15H;3-14H,1H2,2H3;/b;;15-4+;
InChIKeyFWVIMIJDJXNXDA-RWXSGFKMSA-N
XLogP13.63
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001148.96
LogP ≤ 513.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene with MolForge

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Related Compounds

bis[(3E)-penta-1,3-dien-3-yl]phosphorylbenzene;diphenylphosphorylbenzene;europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)-[1]benzothiolo[3,2-f]chromen-3-one
CID 177066006
2-(9,9-dimethylfluoren-2-yl)dibenzofuran
CID 122548566
bis(diphenylphosphorylbenzene);europium;4-hydroxy-8-phenoxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 177066431
2-(9,9-dimethylfluoren-2-yl)-7-[7-(9,9-dimethylfluoren-2-yl)-9-methyl-9-(trifluoromethyl)fluoren-2-yl]-9-methyl-9-(trifluoromethyl)fluorene
CID 59005083
2-[10-(9,9-dimethylfluoren-2-yl)-3-phenylanthracen-9-yl]dibenzofuran
CID 59196306
2-[8-[4-(9,9-dimethylfluoren-2-yl)phenyl]dibenzofuran-1-yl]-4-(2-phenylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 153369396
2'-(4-diphenylphosphorylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]
CID 153483754
4-(4-dibenzofuran-2-ylphenyl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline
CID 67964226
3,4-dihydroxy-6-phenylchromen-2-one
CID 54690428
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 166008017
N-(4-dibenzofuran-2-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964328
2-dibenzofuran-1-yl-4-[8-(9,9-dimethylfluoren-2-yl)dibenzofuran-1-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166002258

Frequently Asked Questions

What is the IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The IUPAC name of 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene (CID 177066061) is 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene.
What is the SMILES notation for 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The canonical SMILES for 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is C=C/C(=C\C)P(=O)(c1ccccc1)c1ccccc1.CC1(C)c2ccccc2-c2ccc(-c3ccc4oc(=O)c(C(=O)C(F)(F)F)c(O)c4c3)cc21.O=P(c1ccccc1)(c1ccccc1)c1ccccc1.[Eu].
What is the InChIKey of 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
The InChIKey is FWVIMIJDJXNXDA-RWXSGFKMSA-N. The full InChI is InChI=1S/C26H17F3O4.C18H15OP.C17H17OP.Eu/c1-25(2)18-6-4-3-5-15(18)16-9-7-14(12-19(16)25)13-8-10-20-17(11-13)22(30)21(24(32)33-20)23(31)26(27,28)29;19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-3-15(4-2)19(18,16-11-7-5-8-12-16)17-13-9-6-10-14-17;/h3-12,30H,1-2H3;1-15H;3-14H,1H2,2H3;/b;;15-4+;.
What are the key properties of 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene?
6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene has a molecular weight of 1148.96 g/mol, XLogP of 13.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9,9-dimethylfluoren-2-yl)-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;diphenylphosphorylbenzene;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene is sourced from PubChem (CID 177066061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).