3-iodo-3-phenylindole

C14H10IN — CID 175211436

IUPAC3-iodo-3-phenylindole
SMILESIC1(c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C14H10IN/c15-14(11-6-2-1-3-7-11)10-16-13-9-5-4-8-12(13)14/h1-10H
InChIKeyDHZOHJQDFFVATR-UHFFFAOYSA-N
MW319.15 g/mol
LogP4.08
Rot. Bonds1

About 3-iodo-3-phenylindole

3-iodo-3-phenylindole (PubChem CID 175211436) has the molecular formula C14H10IN and a molecular weight of 319.15 g/mol. Its IUPAC name is 3-iodo-3-phenylindole.

Molecular Properties

Compound Name3-iodo-3-phenylindole
PubChem CID175211436
Molecular FormulaC14H10IN
Molecular Weight319.15 g/mol
Exact Mass318.99
IUPAC Name3-iodo-3-phenylindole
SMILESIC1(c2ccccc2)C=Nc2ccccc21
InChIInChI=1S/C14H10IN/c15-14(11-6-2-1-3-7-11)10-16-13-9-5-4-8-12(13)14/h1-10H
InChIKeyDHZOHJQDFFVATR-UHFFFAOYSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.15
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-phenylindole-3-carbaldehyde
CID 175244299
(3-iodoindol-3-yl)-trimethylazanium
CID 174515957
3,3-difluoroindole;hydrochloride
CID 172824632
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-hydroxyindol-3-yl) hydrogen sulfate
CID 174968996
3-pyrrol-1-ylindol-3-amine
CID 174405091
(3-methylindol-3-yl) formate
CID 164787795
3-[chloro(fluoro)methyl]-3-methylindole
CID 12518968

Frequently Asked Questions

What is the IUPAC name of 3-iodo-3-phenylindole?
The IUPAC name of 3-iodo-3-phenylindole (CID 175211436) is 3-iodo-3-phenylindole.
What is the SMILES notation for 3-iodo-3-phenylindole?
The canonical SMILES for 3-iodo-3-phenylindole is IC1(c2ccccc2)C=Nc2ccccc21.
What is the InChIKey of 3-iodo-3-phenylindole?
The InChIKey is DHZOHJQDFFVATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10IN/c15-14(11-6-2-1-3-7-11)10-16-13-9-5-4-8-12(13)14/h1-10H.
What are the key properties of 3-iodo-3-phenylindole?
3-iodo-3-phenylindole has a molecular weight of 319.15 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-3-phenylindole is sourced from PubChem (CID 175211436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).