[cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium

C46H71F3O6P2Tb — CID 177066651

IUPAC[cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium
SMILESCCC(CC)P(=O)(C1CCCCC1)C1CCCCC1.O=C(c1c(O)c2ccccc2oc1=O)C(F)(F)F.O=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Tb]
InChIInChI=1S/C18H33OP.C17H33OP.C11H5F3O4.Tb/c19-20(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;12-11(13,14)9(16)7-8(15)5-3-1-2-4-6(5)18-10(7)17;/h16-18H,1-15H2;15-17H,3-14H2,1-2H3;1-4,15H;
InChIKeyUKMPJYDWYJQPPR-UHFFFAOYSA-N
MW997.93 g/mol
LogP14.79
Rot. Bonds9

About [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium

[cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium (PubChem CID 177066651) has the molecular formula C46H71F3O6P2Tb and a molecular weight of 997.93 g/mol. Its IUPAC name is [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium.

Molecular Properties

Compound Name[cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium
PubChem CID177066651
Molecular FormulaC46H71F3O6P2Tb
Molecular Weight997.93 g/mol
Exact Mass997.39
IUPAC Name[cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium
SMILESCCC(CC)P(=O)(C1CCCCC1)C1CCCCC1.O=C(c1c(O)c2ccccc2oc1=O)C(F)(F)F.O=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Tb]
InChIInChI=1S/C18H33OP.C17H33OP.C11H5F3O4.Tb/c19-20(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;12-11(13,14)9(16)7-8(15)5-3-1-2-4-6(5)18-10(7)17;/h16-18H,1-15H2;15-17H,3-14H2,1-2H3;1-4,15H;
InChIKeyUKMPJYDWYJQPPR-UHFFFAOYSA-N
XLogP14.79
TPSA101.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.93
LogP ≤ 514.79
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'}

Analyze [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Chloro-3-(2,2,2-trifluoroacetyl)chromen-2-one;ethane;4-hydroxychromen-2-one
CID 161527915
diphenylphosphorylbenzene;europium;4-hydroxy-7-phenyl-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
CID 177065986
diphenylphosphorylbenzene;8-ethoxy-4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;europium;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
CID 177065997
1-Dioctylphosphoryloctane;diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 177066003
Bis(diphenylphosphorylbenzene);europium;1-hydroxy-2-(2,2,3,3,3-pentafluoropropanoyl)benzo[f]chromen-3-one
CID 177066009
1-Dioctylphosphoryloctane;diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)benzo[h]chromen-2-one
CID 177066013
diphenylphosphorylbenzene;europium;4-hydroxy-6-(4-phenylphenyl)-3-(2,2,2-trifluoroacetyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
CID 177066030
diphenylphosphorylbenzene;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene;samarium
CID 177066038
1-Dibutylphosphorylbutane;dicyclohexylphosphorylcyclohexane;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 177066043
[Cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one
CID 177066050
1-Dibutylphosphorylbutane;diphenylphosphorylbenzene;europium;1-hydroxy-2-(2,2,2-trifluoroacetyl)benzo[f]chromen-3-one
CID 177066055
diphenylphosphorylbenzene;europium;4-hydroxy-3-(2,2,2-trifluoroacetyl)-7-(2,4,6-trimethylphenyl)chromen-2-one;[[(3E)-penta-1,3-dien-3-yl]-phenylphosphoryl]benzene
CID 177066056

Frequently Asked Questions

What is the IUPAC name of [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium?
The IUPAC name of [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium (CID 177066651) is [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium.
What is the SMILES notation for [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium?
The canonical SMILES for [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium is CCC(CC)P(=O)(C1CCCCC1)C1CCCCC1.O=C(c1c(O)c2ccccc2oc1=O)C(F)(F)F.O=P(C1CCCCC1)(C1CCCCC1)C1CCCCC1.[Tb].
What is the InChIKey of [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium?
The InChIKey is UKMPJYDWYJQPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33OP.C17H33OP.C11H5F3O4.Tb/c19-20(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;12-11(13,14)9(16)7-8(15)5-3-1-2-4-6(5)18-10(7)17;/h16-18H,1-15H2;15-17H,3-14H2,1-2H3;1-4,15H;.
What are the key properties of [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium?
[cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium has a molecular weight of 997.93 g/mol, XLogP of 14.79, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexyl(pentan-3-yl)phosphoryl]cyclohexane;dicyclohexylphosphorylcyclohexane;4-hydroxy-3-(2,2,2-trifluoroacetyl)chromen-2-one;terbium is sourced from PubChem (CID 177066651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).