(2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde

C23H18BrNO — CID 139125383

IUPAC(2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde
SMILESCn1c(-c2ccccc2)c([C@@H](C=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C23H18BrNO/c1-25-21-10-6-5-9-19(21)22(23(25)17-7-3-2-4-8-17)20(15-26)16-11-13-18(24)14-12-16/h2-15,20H,1H3/t20-/m0/s1
InChIKeyANVUHMNASUAFLN-FQEVSTJZSA-N
MW404.31 g/mol
LogP5.94
Rot. Bonds4

About (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde

(2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde (PubChem CID 139125383) has the molecular formula C23H18BrNO and a molecular weight of 404.31 g/mol. Its IUPAC name is (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde.

Molecular Properties

Compound Name(2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde
PubChem CID139125383
Molecular FormulaC23H18BrNO
Molecular Weight404.31 g/mol
Exact Mass403.06
IUPAC Name(2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde
SMILESCn1c(-c2ccccc2)c([C@@H](C=O)c2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C23H18BrNO/c1-25-21-10-6-5-9-19(21)22(23(25)17-7-3-2-4-8-17)20(15-26)16-11-13-18(24)14-12-16/h2-15,20H,1H3/t20-/m0/s1
InChIKeyANVUHMNASUAFLN-FQEVSTJZSA-N
XLogP5.94
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 55.94
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 (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde?
The IUPAC name of (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde (CID 139125383) is (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde.
What is the SMILES notation for (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde?
The canonical SMILES for (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde is Cn1c(-c2ccccc2)c([C@@H](C=O)c2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde?
The InChIKey is ANVUHMNASUAFLN-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H18BrNO/c1-25-21-10-6-5-9-19(21)22(23(25)17-7-3-2-4-8-17)20(15-26)16-11-13-18(24)14-12-16/h2-15,20H,1H3/t20-/m0/s1.
What are the key properties of (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde?
(2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde has a molecular weight of 404.31 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromophenyl)-2-(1-methyl-2-phenylindol-3-yl)acetaldehyde is sourced from PubChem (CID 139125383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).