4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde

C24H20N2O — CID 24859408

IUPAC4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1(c2c[nH]c3ccccc23)CC(c2c[nH]c3ccccc23)=CC=C1C=O
InChIInChI=1S/C24H20N2O/c1-24(21-14-26-23-9-5-3-7-19(21)23)12-16(10-11-17(24)15-27)20-13-25-22-8-4-2-6-18(20)22/h2-11,13-15,25-26H,12H2,1H3
InChIKeyOILFCHMXKWGJIM-UHFFFAOYSA-N
MW352.44 g/mol
LogP5.52
Rot. Bonds3

About 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde

4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859408) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859408
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCC1(c2c[nH]c3ccccc23)CC(c2c[nH]c3ccccc23)=CC=C1C=O
InChIInChI=1S/C24H20N2O/c1-24(21-14-26-23-9-5-3-7-19(21)23)12-16(10-11-17(24)15-27)20-13-25-22-8-4-2-6-18(20)22/h2-11,13-15,25-26H,12H2,1H3
InChIKeyOILFCHMXKWGJIM-UHFFFAOYSA-N
XLogP5.52
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.44
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(dimethylamino)phenyl]-4-(1H-indol-3-yl)cyclohexa-1,3-diene-1-carbaldehyde
CID 24859407
1-(1H-indol-3-yl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842313
4-(1H-indol-3-yl)-5-methyl-1,3-thiazole-2-carbaldehyde
CID 116867279
5-(1H-indol-3-yl)furan-2-carbaldehyde
CID 21084536
[1-(1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanol
CID 116842664
3-[4-(1H-indol-3-yl)phenyl]-1H-indole
CID 175007681
3-(3,5-dimethylphenyl)-1H-indole
CID 169241956
1-(1H-indol-3-yl)-N-(2-methylpropyl)cyclopropane-1-carboxamide
CID 113209078
1-(1H-indol-3-yl)-N-prop-2-enylcyclopropane-1-carboxamide
CID 113209076
2-(1H-indol-3-yl)-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
CID 87286726
ethane;[1-(1H-indol-3-yl)cyclopropyl]methanamine
CID 159069082
5-(1H-indol-3-yl)-2,3-dimethoxybenzaldehyde
CID 82039787

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859408) is 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde is CC1(c2c[nH]c3ccccc23)CC(c2c[nH]c3ccccc23)=CC=C1C=O.
What is the InChIKey of 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is OILFCHMXKWGJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-24(21-14-26-23-9-5-3-7-19(21)23)12-16(10-11-17(24)15-27)20-13-25-22-8-4-2-6-18(20)22/h2-11,13-15,25-26H,12H2,1H3.
What are the key properties of 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde?
4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 352.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1H-indol-3-yl)-6-methylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).