4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde

C25H19NO — CID 159608053

IUPAC4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde
SMILESO=Cc1ccc(C(C2=CCc3ccccc32)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H19NO/c27-16-17-9-11-19(12-10-17)25(22-14-13-18-5-1-2-6-20(18)22)23-15-26-24-8-4-3-7-21(23)24/h1-12,14-16,25-26H,13H2
InChIKeyMMIDNLNHLUFUHI-UHFFFAOYSA-N
MW349.43 g/mol
LogP5.75
Rot. Bonds4

About 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde

4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde (PubChem CID 159608053) has the molecular formula C25H19NO and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde.

Molecular Properties

Compound Name4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde
PubChem CID159608053
Molecular FormulaC25H19NO
Molecular Weight349.43 g/mol
Exact Mass349.15
IUPAC Name4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde
SMILESO=Cc1ccc(C(C2=CCc3ccccc32)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C25H19NO/c27-16-17-9-11-19(12-10-17)25(22-14-13-18-5-1-2-6-20(18)22)23-15-26-24-8-4-3-7-21(23)24/h1-12,14-16,25-26H,13H2
InChIKeyMMIDNLNHLUFUHI-UHFFFAOYSA-N
XLogP5.75
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.43
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

3-[3H-inden-1-yl(1H-indol-3-yl)methyl]-1H-indole
CID 157471669
3-[1H-imidazol-2-yl(3H-inden-1-yl)methyl]-1H-indole
CID 163911567
5-bromo-2-[3H-inden-1-yl(1H-indol-3-yl)methyl]phenol
CID 163425608
3-[9H-fluoren-2-yl(1H-indol-3-yl)methyl]-1H-indole
CID 139526334
2-[bis(1H-indol-3-yl)methyl]benzaldehyde
CID 100950087
3-[1H-indol-3-yl-(4-penta-1,2-dienylphenyl)methyl]-1H-indole
CID 101107224
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
(2R)-2-amino-2-(1H-indol-3-yl)acetaldehyde
CID 175028483
3-[phenyl(1H-pyrrol-2-yl)methyl]-1H-indole
CID 57468591
2-[1H-indol-3-yl-(4-methylphenyl)methyl]-3-methyl-1H-indole
CID 134975119
3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
3-propan-2-yl-1H-indole
CID 12534824

Frequently Asked Questions

What is the IUPAC name of 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde?
The IUPAC name of 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde (CID 159608053) is 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde.
What is the SMILES notation for 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde?
The canonical SMILES for 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde is O=Cc1ccc(C(C2=CCc3ccccc32)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde?
The InChIKey is MMIDNLNHLUFUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NO/c27-16-17-9-11-19(12-10-17)25(22-14-13-18-5-1-2-6-20(18)22)23-15-26-24-8-4-3-7-21(23)24/h1-12,14-16,25-26H,13H2.
What are the key properties of 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde?
4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde has a molecular weight of 349.43 g/mol, XLogP of 5.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3H-inden-1-yl(1H-indol-3-yl)methyl]benzaldehyde is sourced from PubChem (CID 159608053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).