1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole

C57H43F4N3O — CID 90945763

IUPAC1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole
SMILESCOc1cc(-c2cc3ccccc3n2-c2ccccc2)ccc1C.FC(F)(F)c1c(-c2ccccc2)[nH]c2ccccc12.Fc1ccc(-n2c(-c3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C22H19NO.C20H14FN.C15H10F3N/c1-16-12-13-18(15-22(16)24-2)21-14-17-8-6-7-11-20(17)23(21)19-9-4-3-5-10-19;21-17-10-12-18(13-11-17)22-19-9-5-4-8-16(19)14-20(22)15-6-2-1-3-7-15;16-15(17,18)13-11-8-4-5-9-12(11)19-14(13)10-6-2-1-3-7-10/h3-15H,1-2H3;1-14H;1-9,19H
InChIKeyBQTKQOWTPIMTCK-UHFFFAOYSA-N
MW861.98 g/mol
LogP15.90
Rot. Bonds6

About 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole

1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole (PubChem CID 90945763) has the molecular formula C57H43F4N3O and a molecular weight of 861.98 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole
PubChem CID90945763
Molecular FormulaC57H43F4N3O
Molecular Weight861.98 g/mol
Exact Mass861.33
IUPAC Name1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole
SMILESCOc1cc(-c2cc3ccccc3n2-c2ccccc2)ccc1C.FC(F)(F)c1c(-c2ccccc2)[nH]c2ccccc12.Fc1ccc(-n2c(-c3ccccc3)cc3ccccc32)cc1
InChIInChI=1S/C22H19NO.C20H14FN.C15H10F3N/c1-16-12-13-18(15-22(16)24-2)21-14-17-8-6-7-11-20(17)23(21)19-9-4-3-5-10-19;21-17-10-12-18(13-11-17)22-19-9-5-4-8-16(19)14-20(22)15-6-2-1-3-7-15;16-15(17,18)13-11-8-4-5-9-12(11)19-14(13)10-6-2-1-3-7-10/h3-15H,1-2H3;1-14H;1-9,19H
InChIKeyBQTKQOWTPIMTCK-UHFFFAOYSA-N
XLogP15.90
TPSA34.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500861.98
LogP ≤ 515.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole?
The IUPAC name of 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole (CID 90945763) is 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole?
The canonical SMILES for 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole is COc1cc(-c2cc3ccccc3n2-c2ccccc2)ccc1C.FC(F)(F)c1c(-c2ccccc2)[nH]c2ccccc12.Fc1ccc(-n2c(-c3ccccc3)cc3ccccc32)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole?
The InChIKey is BQTKQOWTPIMTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO.C20H14FN.C15H10F3N/c1-16-12-13-18(15-22(16)24-2)21-14-17-8-6-7-11-20(17)23(21)19-9-4-3-5-10-19;21-17-10-12-18(13-11-17)22-19-9-5-4-8-16(19)14-20(22)15-6-2-1-3-7-15;16-15(17,18)13-11-8-4-5-9-12(11)19-14(13)10-6-2-1-3-7-10/h3-15H,1-2H3;1-14H;1-9,19H.
What are the key properties of 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole?
1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole has a molecular weight of 861.98 g/mol, XLogP of 15.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-phenylindole;2-(3-methoxy-4-methylphenyl)-1-phenylindole;2-phenyl-3-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 90945763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).