3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

C25H21FN2 — CID 4198221

IUPAC3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccc(F)cc1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C25H21FN2/c1-15-23(19-7-3-5-9-21(19)27-15)25(17-11-13-18(26)14-12-17)24-16(2)28-22-10-6-4-8-20(22)24/h3-14,25,27-28H,1-2H3
InChIKeyFTBLZYGWFTVHLS-UHFFFAOYSA-N
MW368.46 g/mol
LogP6.59
Rot. Bonds3

About 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole

3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (PubChem CID 4198221) has the molecular formula C25H21FN2 and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
PubChem CID4198221
Molecular FormulaC25H21FN2
Molecular Weight368.46 g/mol
Exact Mass368.17
IUPAC Name3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(c1ccc(F)cc1)c1c(C)[nH]c2ccccc12
InChIInChI=1S/C25H21FN2/c1-15-23(19-7-3-5-9-21(19)27-15)25(17-11-13-18(26)14-12-17)24-16(2)28-22-10-6-4-8-20(22)24/h3-14,25,27-28H,1-2H3
InChIKeyFTBLZYGWFTVHLS-UHFFFAOYSA-N
XLogP6.59
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 56.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The IUPAC name of 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole (CID 4198221) is 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C(c1ccc(F)cc1)c1c(C)[nH]c2ccccc12.
What is the InChIKey of 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
The InChIKey is FTBLZYGWFTVHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2/c1-15-23(19-7-3-5-9-21(19)27-15)25(17-11-13-18(26)14-12-17)24-16(2)28-22-10-6-4-8-20(22)24/h3-14,25,27-28H,1-2H3.
What are the key properties of 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole?
3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole has a molecular weight of 368.46 g/mol, XLogP of 6.59, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)-(2-methyl-1H-indol-3-yl)methyl]-2-methyl-1H-indole is sourced from PubChem (CID 4198221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).