1-benzyl-3-phenylselanylindole

C21H17NSe — CID 101452590

IUPAC1-benzyl-3-phenylselanylindole
SMILESc1ccc(Cn2cc([Se]c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C21H17NSe/c1-3-9-17(10-4-1)15-22-16-21(19-13-7-8-14-20(19)22)23-18-11-5-2-6-12-18/h1-14,16H,15H2
InChIKeyKUOBIPHFXMDRRB-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.34
Rot. Bonds4

About 1-benzyl-3-phenylselanylindole

1-benzyl-3-phenylselanylindole (PubChem CID 101452590) has the molecular formula C21H17NSe and a molecular weight of 362.33 g/mol. Its IUPAC name is 1-benzyl-3-phenylselanylindole.

Molecular Properties

Compound Name1-benzyl-3-phenylselanylindole
PubChem CID101452590
Molecular FormulaC21H17NSe
Molecular Weight362.33 g/mol
Exact Mass363.05
IUPAC Name1-benzyl-3-phenylselanylindole
SMILESc1ccc(Cn2cc([Se]c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C21H17NSe/c1-3-9-17(10-4-1)15-22-16-21(19-13-7-8-14-20(19)22)23-18-11-5-2-6-12-18/h1-14,16H,15H2
InChIKeyKUOBIPHFXMDRRB-UHFFFAOYSA-N
XLogP3.34
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(3,4,5-trimethoxyphenyl)selanylindole
CID 74763463
1-benzyl-3-methylindole;ethane
CID 145343697
2-(1-benzylindol-3-yl)ethanol
CID 13134935
(1-benzylindol-3-yl)-deuteriomethanone
CID 176774794
1-benzyl-3-(2,6-difluoro-4-pyridinyl)indole
CID 66552989
1-benzyl-3-[1-(1-benzylindol-3-yl)butyl]indole
CID 22019299
2-(1-benzylindol-3-yl)-2-chloroacetaldehyde
CID 19860541
2-(1-benzyl-4-oxoquinolin-3-yl)acetic acid
CID 45275194
1-benzyl-3-but-3-enylindole
CID 174396068
1-(1-benzylindol-3-yl)propan-2-amine
CID 3137663
1-benzyl-3-methylindole;1,3-dioxolane
CID 23496284
4-(1-benzylindol-3-yl)but-3-en-2-one
CID 2775547

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenylselanylindole?
The IUPAC name of 1-benzyl-3-phenylselanylindole (CID 101452590) is 1-benzyl-3-phenylselanylindole.
What is the SMILES notation for 1-benzyl-3-phenylselanylindole?
The canonical SMILES for 1-benzyl-3-phenylselanylindole is c1ccc(Cn2cc([Se]c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 1-benzyl-3-phenylselanylindole?
The InChIKey is KUOBIPHFXMDRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NSe/c1-3-9-17(10-4-1)15-22-16-21(19-13-7-8-14-20(19)22)23-18-11-5-2-6-12-18/h1-14,16H,15H2.
What are the key properties of 1-benzyl-3-phenylselanylindole?
1-benzyl-3-phenylselanylindole has a molecular weight of 362.33 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenylselanylindole is sourced from PubChem (CID 101452590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).