[6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone

C30H21FN2O — CID 56851778

IUPAC[6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21
InChIInChI=1S/C30H21FN2O/c31-27-8-4-7-26(17-27)30(34)33-16-14-23-10-12-25(19-29(23)33)24-11-9-22-13-15-32(28(22)18-24)20-21-5-2-1-3-6-21/h1-19H,20H2
InChIKeyYLUIDBVIOWZCEM-UHFFFAOYSA-N
MW444.51 g/mol
LogP7.14
Rot. Bonds4

About [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone

[6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone (PubChem CID 56851778) has the molecular formula C30H21FN2O and a molecular weight of 444.51 g/mol. Its IUPAC name is [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone
PubChem CID56851778
Molecular FormulaC30H21FN2O
Molecular Weight444.51 g/mol
Exact Mass444.16
IUPAC Name[6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone
SMILESO=C(c1cccc(F)c1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21
InChIInChI=1S/C30H21FN2O/c31-27-8-4-7-26(17-27)30(34)33-16-14-23-10-12-25(19-29(23)33)24-11-9-22-13-15-32(28(22)18-24)20-21-5-2-1-3-6-21/h1-19H,20H2
InChIKeyYLUIDBVIOWZCEM-UHFFFAOYSA-N
XLogP7.14
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.51
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone (CID 56851778) is [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone is O=C(c1cccc(F)c1)n1ccc2ccc(-c3ccc4ccn(Cc5ccccc5)c4c3)cc21.
What is the InChIKey of [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is YLUIDBVIOWZCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21FN2O/c31-27-8-4-7-26(17-27)30(34)33-16-14-23-10-12-25(19-29(23)33)24-11-9-22-13-15-32(28(22)18-24)20-21-5-2-1-3-6-21/h1-19H,20H2.
What are the key properties of [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone?
[6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 444.51 g/mol, XLogP of 7.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1-benzylindol-6-yl)indol-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 56851778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).