3-phenylindole-3-carbaldehyde

C15H11NO — CID 175244299

IUPAC3-phenylindole-3-carbaldehyde
SMILESO=CC1(c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C15H11NO/c17-11-15(12-6-2-1-3-7-12)10-16-14-9-5-4-8-13(14)15/h1-11H
InChIKeyRZXZIECWMILJQF-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.89
Rot. Bonds2

About 3-phenylindole-3-carbaldehyde

3-phenylindole-3-carbaldehyde (PubChem CID 175244299) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-phenylindole-3-carbaldehyde.

Molecular Properties

Compound Name3-phenylindole-3-carbaldehyde
PubChem CID175244299
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name3-phenylindole-3-carbaldehyde
SMILESO=CC1(c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C15H11NO/c17-11-15(12-6-2-1-3-7-12)10-16-14-9-5-4-8-13(14)15/h1-11H
InChIKeyRZXZIECWMILJQF-UHFFFAOYSA-N
XLogP2.89
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.89
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

3-iodo-3-phenylindole
CID 175211436
2-(3-formylindol-3-yl)acetic acid
CID 135207400
3,3-difluoroindole;hydrochloride
CID 172824632
(3-methylindol-3-yl) formate
CID 164787795
3-[3-(dimethylamino)propylsulfanyl]indole-3-carbaldehyde
CID 154367899
5-(3-hydroxyindol-3-yl)quinoline-2-carbaldehyde
CID 174680040
3-bromoindol-3-ol
CID 68520694
(3'R,4R,5R)-3',4,5-trimethyl-3'-phenylspiro[1,3-dioxolane-2,4'-quinoline]
CID 53356391
spiro[aziridine-2,3'-indole]
CID 173099784
4-[(3R)-4-[4-(dimethylamino)phenyl]-3-methyl-3-phenylquinolin-4-yl]-N,N-dimethylaniline
CID 139191381
3',3'-diphenylspiro[1,3-oxathiolane-2,4'-quinoline]
CID 101462245
3-isothiocyanato-3-methylindole
CID 146425198

Frequently Asked Questions

What is the IUPAC name of 3-phenylindole-3-carbaldehyde?
The IUPAC name of 3-phenylindole-3-carbaldehyde (CID 175244299) is 3-phenylindole-3-carbaldehyde.
What is the SMILES notation for 3-phenylindole-3-carbaldehyde?
The canonical SMILES for 3-phenylindole-3-carbaldehyde is O=CC1(c2ccccc2)C=Nc2ccccc21.
What is the InChIKey of 3-phenylindole-3-carbaldehyde?
The InChIKey is RZXZIECWMILJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO/c17-11-15(12-6-2-1-3-7-12)10-16-14-9-5-4-8-13(14)15/h1-11H.
What are the key properties of 3-phenylindole-3-carbaldehyde?
3-phenylindole-3-carbaldehyde has a molecular weight of 221.26 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylindole-3-carbaldehyde is sourced from PubChem (CID 175244299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).