2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde

C21H14FNO — CID 58794450

IUPAC2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(-c3ccccc3)c(F)c2)[nH]c2ccccc12
InChIInChI=1S/C21H14FNO/c22-19-12-15(10-11-16(19)14-6-2-1-3-7-14)21-18(13-24)17-8-4-5-9-20(17)23-21/h1-13,23H
InChIKeyPGZKPKLRXYLCFW-UHFFFAOYSA-N
MW315.35 g/mol
LogP5.45
Rot. Bonds3

About 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde

2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde (PubChem CID 58794450) has the molecular formula C21H14FNO and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
PubChem CID58794450
Molecular FormulaC21H14FNO
Molecular Weight315.35 g/mol
Exact Mass315.11
IUPAC Name2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(-c3ccccc3)c(F)c2)[nH]c2ccccc12
InChIInChI=1S/C21H14FNO/c22-19-12-15(10-11-16(19)14-6-2-1-3-7-14)21-18(13-24)17-8-4-5-9-20(17)23-21/h1-13,23H
InChIKeyPGZKPKLRXYLCFW-UHFFFAOYSA-N
XLogP5.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.35
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde?
The IUPAC name of 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde (CID 58794450) is 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde.
What is the SMILES notation for 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde?
The canonical SMILES for 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde is O=Cc1c(-c2ccc(-c3ccccc3)c(F)c2)[nH]c2ccccc12.
What is the InChIKey of 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde?
The InChIKey is PGZKPKLRXYLCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FNO/c22-19-12-15(10-11-16(19)14-6-2-1-3-7-14)21-18(13-24)17-8-4-5-9-20(17)23-21/h1-13,23H.
What are the key properties of 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde?
2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde has a molecular weight of 315.35 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-phenylphenyl)-1H-indole-3-carbaldehyde is sourced from PubChem (CID 58794450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).