3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole

C21H16FN — CID 158433984

IUPAC3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
SMILESCc1cc(-c2c(-c3ccccc3)[nH]c3ccccc23)ccc1F
InChIInChI=1S/C21H16FN/c1-14-13-16(11-12-18(14)22)20-17-9-5-6-10-19(17)23-21(20)15-7-3-2-4-8-15/h2-13,23H,1H3
InChIKeyOGHIGZCZJUFKSM-UHFFFAOYSA-N
MW301.36 g/mol
LogP5.95
Rot. Bonds2

About 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole

3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole (PubChem CID 158433984) has the molecular formula C21H16FN and a molecular weight of 301.36 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
PubChem CID158433984
Molecular FormulaC21H16FN
Molecular Weight301.36 g/mol
Exact Mass301.13
IUPAC Name3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
SMILESCc1cc(-c2c(-c3ccccc3)[nH]c3ccccc23)ccc1F
InChIInChI=1S/C21H16FN/c1-14-13-16(11-12-18(14)22)20-17-9-5-6-10-19(17)23-21(20)15-7-3-2-4-8-15/h2-13,23H,1H3
InChIKeyOGHIGZCZJUFKSM-UHFFFAOYSA-N
XLogP5.95
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.36
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole (CID 158433984) is 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole is Cc1cc(-c2c(-c3ccccc3)[nH]c3ccccc23)ccc1F.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole?
The InChIKey is OGHIGZCZJUFKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN/c1-14-13-16(11-12-18(14)22)20-17-9-5-6-10-19(17)23-21(20)15-7-3-2-4-8-15/h2-13,23H,1H3.
What are the key properties of 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole?
3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole has a molecular weight of 301.36 g/mol, XLogP of 5.95, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole is sourced from PubChem (CID 158433984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).