5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde

C22H18ClNO — CID 11617196

IUPAC5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde
SMILESCN1c2ccc(Cl)cc2C(c2ccccc2)(c2ccccc2)C1C=O
InChIInChI=1S/C22H18ClNO/c1-24-20-13-12-18(23)14-19(20)22(21(24)15-25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3
InChIKeyILXQJAWVDZAWHX-UHFFFAOYSA-N
MW347.85 g/mol
LogP4.69
Rot. Bonds3

About 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde

5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde (PubChem CID 11617196) has the molecular formula C22H18ClNO and a molecular weight of 347.85 g/mol. Its IUPAC name is 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde.

Molecular Properties

Compound Name5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde
PubChem CID11617196
Molecular FormulaC22H18ClNO
Molecular Weight347.85 g/mol
Exact Mass347.11
IUPAC Name5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde
SMILESCN1c2ccc(Cl)cc2C(c2ccccc2)(c2ccccc2)C1C=O
InChIInChI=1S/C22H18ClNO/c1-24-20-13-12-18(23)14-19(20)22(21(24)15-25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3
InChIKeyILXQJAWVDZAWHX-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde?
The IUPAC name of 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde (CID 11617196) is 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde.
What is the SMILES notation for 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde?
The canonical SMILES for 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde is CN1c2ccc(Cl)cc2C(c2ccccc2)(c2ccccc2)C1C=O.
What is the InChIKey of 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde?
The InChIKey is ILXQJAWVDZAWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClNO/c1-24-20-13-12-18(23)14-19(20)22(21(24)15-25,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21H,1H3.
What are the key properties of 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde?
5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde has a molecular weight of 347.85 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3,3-diphenyl-2H-indole-2-carbaldehyde is sourced from PubChem (CID 11617196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).