3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole

C21H15BrFN — CID 121447553

IUPAC3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
SMILESCn1c(-c2ccccc2)c(-c2ccc(Br)cc2)c2cc(F)ccc21
InChIInChI=1S/C21H15BrFN/c1-24-19-12-11-17(23)13-18(19)20(14-7-9-16(22)10-8-14)21(24)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyJMIMFQPCMDZCNG-UHFFFAOYSA-N
MW380.26 g/mol
LogP6.41
Rot. Bonds2

About 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole

3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole (PubChem CID 121447553) has the molecular formula C21H15BrFN and a molecular weight of 380.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
PubChem CID121447553
Molecular FormulaC21H15BrFN
Molecular Weight380.26 g/mol
Exact Mass379.04
IUPAC Name3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole
SMILESCn1c(-c2ccccc2)c(-c2ccc(Br)cc2)c2cc(F)ccc21
InChIInChI=1S/C21H15BrFN/c1-24-19-12-11-17(23)13-18(19)20(14-7-9-16(22)10-8-14)21(24)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyJMIMFQPCMDZCNG-UHFFFAOYSA-N
XLogP6.41
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.26
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-2,3-diphenylindole
CID 11426096
7-bromo-3-methyl-1,2-diphenylbenzo[e]indole
CID 142312592
6-tert-butyl-1-methyl-2,3-diphenylquinolin-4-one
CID 166440021
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307012
3-(5-fluoroindol-1-yl)-1-methyl-4-phenylquinolin-2-one
CID 134306089
N-[4-[2-(4-fluorophenyl)-1-methylindol-3-yl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 121447558
10-(3,4-difluorophenyl)-2-fluoro-9-phenylanthracene
CID 88877574
3-bromo-5,6-diphenylcinnolino[2,1-b]phthalazine-8,13-dione
CID 132991804
1-methyl-2-(4-nitrophenyl)-3-phenylindole
CID 160683376
5-fluoro-9-methyl-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762214
1-(6-bromo-9-ethyl-1,2-diphenylpyrrolo[3,2-b]carbazol-3-yl)ethanone
CID 102336520
3,6-dibromo-9-(2,3,4,5,6-pentakis-phenylphenyl)carbazole
CID 87510706

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole?
The IUPAC name of 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole (CID 121447553) is 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole.
What is the SMILES notation for 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole?
The canonical SMILES for 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole is Cn1c(-c2ccccc2)c(-c2ccc(Br)cc2)c2cc(F)ccc21.
What is the InChIKey of 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole?
The InChIKey is JMIMFQPCMDZCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15BrFN/c1-24-19-12-11-17(23)13-18(19)20(14-7-9-16(22)10-8-14)21(24)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole?
3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole has a molecular weight of 380.26 g/mol, XLogP of 6.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-fluoro-1-methyl-2-phenylindole is sourced from PubChem (CID 121447553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).