1-benzhydrylindole-3-carbaldehyde

C22H17NO — CID 18973484

IUPAC1-benzhydrylindole-3-carbaldehyde
SMILESO=Cc1cn(C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H17NO/c24-16-19-15-23(21-14-8-7-13-20(19)21)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,22H
InChIKeyJMIJNULHOJEAHE-UHFFFAOYSA-N
MW311.38 g/mol
LogP5.09
Rot. Bonds4

About 1-benzhydrylindole-3-carbaldehyde

1-benzhydrylindole-3-carbaldehyde (PubChem CID 18973484) has the molecular formula C22H17NO and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-benzhydrylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-benzhydrylindole-3-carbaldehyde
PubChem CID18973484
Molecular FormulaC22H17NO
Molecular Weight311.38 g/mol
Exact Mass311.13
IUPAC Name1-benzhydrylindole-3-carbaldehyde
SMILESO=Cc1cn(C(c2ccccc2)c2ccccc2)c2ccccc12
InChIInChI=1S/C22H17NO/c24-16-19-15-23(21-14-8-7-13-20(19)21)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,22H
InChIKeyJMIJNULHOJEAHE-UHFFFAOYSA-N
XLogP5.09
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.38
LogP ≤ 55.09
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 1-benzhydrylindole-3-carbaldehyde?
The IUPAC name of 1-benzhydrylindole-3-carbaldehyde (CID 18973484) is 1-benzhydrylindole-3-carbaldehyde.
What is the SMILES notation for 1-benzhydrylindole-3-carbaldehyde?
The canonical SMILES for 1-benzhydrylindole-3-carbaldehyde is O=Cc1cn(C(c2ccccc2)c2ccccc2)c2ccccc12.
What is the InChIKey of 1-benzhydrylindole-3-carbaldehyde?
The InChIKey is JMIJNULHOJEAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO/c24-16-19-15-23(21-14-8-7-13-20(19)21)22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-16,22H.
What are the key properties of 1-benzhydrylindole-3-carbaldehyde?
1-benzhydrylindole-3-carbaldehyde has a molecular weight of 311.38 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylindole-3-carbaldehyde is sourced from PubChem (CID 18973484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).