4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde

C19H11I2NO — CID 141194395

IUPAC4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde
SMILESO=Cc1cc(I)c(-c2cccc3c2[nH]c2ccccc23)cc1I
InChIInChI=1S/C19H11I2NO/c20-16-9-15(17(21)8-11(16)10-23)14-6-3-5-13-12-4-1-2-7-18(12)22-19(13)14/h1-10,22H
InChIKeyFYWUWJOGTOBZNE-UHFFFAOYSA-N
MW523.11 g/mol
LogP6.01
Rot. Bonds2

About 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde

4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde (PubChem CID 141194395) has the molecular formula C19H11I2NO and a molecular weight of 523.11 g/mol. Its IUPAC name is 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde.

Molecular Properties

Compound Name4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde
PubChem CID141194395
Molecular FormulaC19H11I2NO
Molecular Weight523.11 g/mol
Exact Mass522.89
IUPAC Name4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde
SMILESO=Cc1cc(I)c(-c2cccc3c2[nH]c2ccccc23)cc1I
InChIInChI=1S/C19H11I2NO/c20-16-9-15(17(21)8-11(16)10-23)14-6-3-5-13-12-4-1-2-7-18(12)22-19(13)14/h1-10,22H
InChIKeyFYWUWJOGTOBZNE-UHFFFAOYSA-N
XLogP6.01
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.11
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde?
The IUPAC name of 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde (CID 141194395) is 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde.
What is the SMILES notation for 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde?
The canonical SMILES for 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde is O=Cc1cc(I)c(-c2cccc3c2[nH]c2ccccc23)cc1I.
What is the InChIKey of 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde?
The InChIKey is FYWUWJOGTOBZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11I2NO/c20-16-9-15(17(21)8-11(16)10-23)14-6-3-5-13-12-4-1-2-7-18(12)22-19(13)14/h1-10,22H.
What are the key properties of 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde?
4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde has a molecular weight of 523.11 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-carbazol-1-yl)-2,5-diiodobenzaldehyde is sourced from PubChem (CID 141194395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).