1-(4-fluorophenyl)-3-methyl-2-phenylindole

C21H16FN — CID 11551202

IUPAC1-(4-fluorophenyl)-3-methyl-2-phenylindole
SMILESCc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H16FN/c1-15-19-9-5-6-10-20(19)23(18-13-11-17(22)12-14-18)21(15)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyHTJAVWGHUOOCNF-UHFFFAOYSA-N
MW301.36 g/mol
LogP5.75
Rot. Bonds2

About 1-(4-fluorophenyl)-3-methyl-2-phenylindole

1-(4-fluorophenyl)-3-methyl-2-phenylindole (PubChem CID 11551202) has the molecular formula C21H16FN and a molecular weight of 301.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-methyl-2-phenylindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-methyl-2-phenylindole
PubChem CID11551202
Molecular FormulaC21H16FN
Molecular Weight301.36 g/mol
Exact Mass301.13
IUPAC Name1-(4-fluorophenyl)-3-methyl-2-phenylindole
SMILESCc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccccc12
InChIInChI=1S/C21H16FN/c1-15-19-9-5-6-10-20(19)23(18-13-11-17(22)12-14-18)21(15)16-7-3-2-4-8-16/h2-14H,1H3
InChIKeyHTJAVWGHUOOCNF-UHFFFAOYSA-N
XLogP5.75
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.36
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indole_3yl_alk_B(1)', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-3-methyl-2-phenyl-6-propan-2-ylquinolin-4-one
CID 516450
3-[1,2-bis[4-(4-phenylphenyl)phenyl]indol-3-yl]-1,2-diphenylindole
CID 129085579
9-(4-fluorophenyl)-2-methylcarbazole
CID 148964710
3-fluoro-9-[4-[4-(3-fluorocarbazol-9-yl)phenyl]phenyl]carbazole
CID 23534181
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
3,6-bis[6-fluoro-9-(4-fluorophenyl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59307012
6,12-dimethyl-5-(4-phenylphenyl)-11-[4-(4-phenylphenyl)phenyl]indolo[3,2-b]carbazole
CID 134509787
3-[10-(4-fluorophenyl)anthracen-9-yl]-9-phenylcarbazole
CID 170395491
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
9-[4-[4-(4-carbazol-9-ylphenyl)-2,3,5,6-tetramethylphenyl]phenyl]carbazole
CID 58939501
9-[4-[4-[4-(3,5-difluoro-4-methylphenyl)phenyl]phenyl]phenyl]carbazole
CID 59629480
9-(4-fluorophenyl)-N-[4-[4-(N-[9-(4-fluorophenyl)carbazol-2-yl]-4-methylanilino)phenyl]phenyl]-N-phenylcarbazol-2-amine
CID 176642990

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-methyl-2-phenylindole?
The IUPAC name of 1-(4-fluorophenyl)-3-methyl-2-phenylindole (CID 11551202) is 1-(4-fluorophenyl)-3-methyl-2-phenylindole.
What is the SMILES notation for 1-(4-fluorophenyl)-3-methyl-2-phenylindole?
The canonical SMILES for 1-(4-fluorophenyl)-3-methyl-2-phenylindole is Cc1c(-c2ccccc2)n(-c2ccc(F)cc2)c2ccccc12.
What is the InChIKey of 1-(4-fluorophenyl)-3-methyl-2-phenylindole?
The InChIKey is HTJAVWGHUOOCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN/c1-15-19-9-5-6-10-20(19)23(18-13-11-17(22)12-14-18)21(15)16-7-3-2-4-8-16/h2-14H,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-methyl-2-phenylindole?
1-(4-fluorophenyl)-3-methyl-2-phenylindole has a molecular weight of 301.36 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-methyl-2-phenylindole is sourced from PubChem (CID 11551202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).