9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde

C20H14BrNO — CID 5325984

IUPAC9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde
SMILESO=Cc1ccc2c(c1)c1ccccc1n2Cc1ccc(Br)cc1
InChIInChI=1S/C20H14BrNO/c21-16-8-5-14(6-9-16)12-22-19-4-2-1-3-17(19)18-11-15(13-23)7-10-20(18)22/h1-11,13H,12H2
InChIKeyNAZIOTIHSPYOGY-UHFFFAOYSA-N
MW364.24 g/mol
LogP5.42
Rot. Bonds3

About 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde

9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde (PubChem CID 5325984) has the molecular formula C20H14BrNO and a molecular weight of 364.24 g/mol. Its IUPAC name is 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde.

Molecular Properties

Compound Name9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde
PubChem CID5325984
Molecular FormulaC20H14BrNO
Molecular Weight364.24 g/mol
Exact Mass363.03
IUPAC Name9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde
SMILESO=Cc1ccc2c(c1)c1ccccc1n2Cc1ccc(Br)cc1
InChIInChI=1S/C20H14BrNO/c21-16-8-5-14(6-9-16)12-22-19-4-2-1-3-17(19)18-11-15(13-23)7-10-20(18)22/h1-11,13H,12H2
InChIKeyNAZIOTIHSPYOGY-UHFFFAOYSA-N
XLogP5.42
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.24
LogP ≤ 55.42
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 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde?
The IUPAC name of 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde (CID 5325984) is 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde.
What is the SMILES notation for 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde?
The canonical SMILES for 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde is O=Cc1ccc2c(c1)c1ccccc1n2Cc1ccc(Br)cc1.
What is the InChIKey of 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde?
The InChIKey is NAZIOTIHSPYOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrNO/c21-16-8-5-14(6-9-16)12-22-19-4-2-1-3-17(19)18-11-15(13-23)7-10-20(18)22/h1-11,13H,12H2.
What are the key properties of 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde?
9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde has a molecular weight of 364.24 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-bromophenyl)methyl]carbazole-3-carbaldehyde is sourced from PubChem (CID 5325984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).