3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde

C22H15NO2 — CID 102572070

IUPAC3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde
SMILESO=Cc1cccc(-c2[nH]c3ccccc3c2-c2cccc(C=O)c2)c1
InChIInChI=1S/C22H15NO2/c24-13-15-5-3-7-17(11-15)21-19-9-1-2-10-20(19)23-22(21)18-8-4-6-16(12-18)14-25/h1-14,23H
InChIKeyLYGNGHKOQQZNJV-UHFFFAOYSA-N
MW325.37 g/mol
LogP5.13
Rot. Bonds4

About 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde

3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde (PubChem CID 102572070) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde.

Molecular Properties

Compound Name3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde
PubChem CID102572070
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde
SMILESO=Cc1cccc(-c2[nH]c3ccccc3c2-c2cccc(C=O)c2)c1
InChIInChI=1S/C22H15NO2/c24-13-15-5-3-7-17(11-15)21-19-9-1-2-10-20(19)23-22(21)18-8-4-6-16(12-18)14-25/h1-14,23H
InChIKeyLYGNGHKOQQZNJV-UHFFFAOYSA-N
XLogP5.13
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.37
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylphenyl)-3-phenyl-1H-indole
CID 123796416
3-[6-(9,10-dinaphthalen-2-ylanthracen-2-yl)naphthalen-2-yl]benzaldehyde
CID 88533868
methanol;3-phenyl-1H-indole-2-carbaldehyde
CID 143036487
3-(4-fluoro-3-methylphenyl)-2-phenyl-1H-indole
CID 158433984
3-(3,5-dichlorophenyl)benzaldehyde
CID 2758152
2-(3-formylphenyl)benzaldehyde
CID 57186210
9,10-diphenylphenanthrene-3-carbaldehyde
CID 102277124
3-(4-amino-2,6-dimethylphenyl)benzaldehyde
CID 143071394
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
3-(4-bromophenyl)-1H-indole-2-carbaldehyde
CID 139991030
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
2-(3-methyl-1H-indol-2-yl)-3-phenyl-1H-indole
CID 629515

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde?
The IUPAC name of 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde (CID 102572070) is 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde.
What is the SMILES notation for 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde?
The canonical SMILES for 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde is O=Cc1cccc(-c2[nH]c3ccccc3c2-c2cccc(C=O)c2)c1.
What is the InChIKey of 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde?
The InChIKey is LYGNGHKOQQZNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c24-13-15-5-3-7-17(11-15)21-19-9-1-2-10-20(19)23-22(21)18-8-4-6-16(12-18)14-25/h1-14,23H.
What are the key properties of 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde?
3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde has a molecular weight of 325.37 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-formylphenyl)-1H-indol-3-yl]benzaldehyde is sourced from PubChem (CID 102572070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).