1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde

C22H15Cl2NO — CID 135066812

IUPAC1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)n(Cc2ccccc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C22H15Cl2NO/c23-17-11-18-19(14-26)21(16-9-5-2-6-10-16)25(22(18)20(24)12-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2
InChIKeyMEFJSRBTHSHILR-UHFFFAOYSA-N
MW380.27 g/mol
LogP6.48
Rot. Bonds4

About 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde

1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde (PubChem CID 135066812) has the molecular formula C22H15Cl2NO and a molecular weight of 380.27 g/mol. Its IUPAC name is 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde
PubChem CID135066812
Molecular FormulaC22H15Cl2NO
Molecular Weight380.27 g/mol
Exact Mass379.05
IUPAC Name1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde
SMILESO=Cc1c(-c2ccccc2)n(Cc2ccccc2)c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C22H15Cl2NO/c23-17-11-18-19(14-26)21(16-9-5-2-6-10-16)25(22(18)20(24)12-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2
InChIKeyMEFJSRBTHSHILR-UHFFFAOYSA-N
XLogP6.48
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.27
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2,7-dichloroindole-3-carbaldehyde
CID 82269368
1-benzyl-2-chloro-7-fluoroindole-3-carbaldehyde
CID 82269294
2-(1-benzyl-5,7-dichloro-2-methylindol-3-yl)oxy-N,N-dimethylethanamine
CID 11740300
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
1-benzyl-5-chloropyrrole-2-carbaldehyde
CID 14686207
3,5-dichloro-2-(2-phenylethoxy)benzaldehyde
CID 18353665
1-benzyl-3-[4-(1-benzyl-2-phenylindol-3-yl)phenyl]-2-phenylindole
CID 86235085
7-chloro-5-phenyl-[1,2,4]triazolo[4,3-a]quinoline-4-carbaldehyde
CID 14357899
1-[(4-chlorophenyl)methyl]-5-phenyltriazole-4-carbaldehyde
CID 82203337
4-chloro-1-ethyl-2-methyl-5-phenylpyrrole-3-carbaldehyde
CID 91672452
3,5-dichloro-2-(phenylmethoxymethoxy)benzaldehyde
CID 102939681
5-benzyl-8-chlorophenanthridin-6-one
CID 71506154

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde?
The IUPAC name of 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde (CID 135066812) is 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde.
What is the SMILES notation for 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde?
The canonical SMILES for 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde is O=Cc1c(-c2ccccc2)n(Cc2ccccc2)c2c(Cl)cc(Cl)cc12.
What is the InChIKey of 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde?
The InChIKey is MEFJSRBTHSHILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2NO/c23-17-11-18-19(14-26)21(16-9-5-2-6-10-16)25(22(18)20(24)12-17)13-15-7-3-1-4-8-15/h1-12,14H,13H2.
What are the key properties of 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde?
1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde has a molecular weight of 380.27 g/mol, XLogP of 6.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5,7-dichloro-2-phenylindole-3-carbaldehyde is sourced from PubChem (CID 135066812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).