phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol

C78H73F9N6O4 — CID 91480465

IUPACphenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCC(F)(F)F.FC(F)(F)c1cccc(OCCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1.FC(F)(F)c1cccc(OCCCc2cnc[nH]2)c1.OCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Oc1ccccc1
InChIInChI=1S/C32H27F3N2O.C25H24N2O.C13H13F3N2O.C6H6O.C2H3F3/c33-32(34,35)28-18-10-20-30(22-28)38-21-11-19-29-23-37(24-36-29)31(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27;28-18-10-17-24-19-27(20-26-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;14-13(15,16)10-3-1-5-12(7-10)19-6-2-4-11-8-17-9-18-11;7-6-4-2-1-3-5-6;1-2(3,4)5/h1-10,12-18,20,22-24H,11,19,21H2;1-9,11-16,19-20,28H,10,17-18H2;1,3,5,7-9H,2,4,6H2,(H,17,18);1-5,7H;1H3
InChIKeyFSUNUOPPERTXEE-UHFFFAOYSA-N
MW1329.46 g/mol
LogP18.80
Rot. Bonds21

About phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol

phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol (PubChem CID 91480465) has the molecular formula C78H73F9N6O4 and a molecular weight of 1329.46 g/mol. Its IUPAC name is phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Namephenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol
PubChem CID91480465
Molecular FormulaC78H73F9N6O4
Molecular Weight1329.46 g/mol
Exact Mass1328.55
IUPAC Namephenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCC(F)(F)F.FC(F)(F)c1cccc(OCCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1.FC(F)(F)c1cccc(OCCCc2cnc[nH]2)c1.OCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Oc1ccccc1
InChIInChI=1S/C32H27F3N2O.C25H24N2O.C13H13F3N2O.C6H6O.C2H3F3/c33-32(34,35)28-18-10-20-30(22-28)38-21-11-19-29-23-37(24-36-29)31(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27;28-18-10-17-24-19-27(20-26-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;14-13(15,16)10-3-1-5-12(7-10)19-6-2-4-11-8-17-9-18-11;7-6-4-2-1-3-5-6;1-2(3,4)5/h1-10,12-18,20,22-24H,11,19,21H2;1-9,11-16,19-20,28H,10,17-18H2;1,3,5,7-9H,2,4,6H2,(H,17,18);1-5,7H;1H3
InChIKeyFSUNUOPPERTXEE-UHFFFAOYSA-N
XLogP18.80
TPSA123.24 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds21
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001329.46
LogP ≤ 518.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol?
The IUPAC name of phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol (CID 91480465) is phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol?
The canonical SMILES for phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol is CC(F)(F)F.FC(F)(F)c1cccc(OCCCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1.FC(F)(F)c1cccc(OCCCc2cnc[nH]2)c1.OCCCc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.Oc1ccccc1.
What is the InChIKey of phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol?
The InChIKey is FSUNUOPPERTXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3N2O.C25H24N2O.C13H13F3N2O.C6H6O.C2H3F3/c33-32(34,35)28-18-10-20-30(22-28)38-21-11-19-29-23-37(24-36-29)31(25-12-4-1-5-13-25,26-14-6-2-7-15-26)27-16-8-3-9-17-27;28-18-10-17-24-19-27(20-26-24)25(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;14-13(15,16)10-3-1-5-12(7-10)19-6-2-4-11-8-17-9-18-11;7-6-4-2-1-3-5-6;1-2(3,4)5/h1-10,12-18,20,22-24H,11,19,21H2;1-9,11-16,19-20,28H,10,17-18H2;1,3,5,7-9H,2,4,6H2,(H,17,18);1-5,7H;1H3.
What are the key properties of phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol?
phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol has a molecular weight of 1329.46 g/mol, XLogP of 18.80, 21 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;1,1,1-trifluoroethane;5-[3-[3-(trifluoromethyl)phenoxy]propyl]-1H-imidazole;4-[3-[3-(trifluoromethyl)phenoxy]propyl]-1-tritylimidazole;3-(1-tritylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 91480465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).