(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

C24H22INO — CID 71454234

IUPAC(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3cccc(I)c23)c2ccccc21
InChIInChI=1S/C24H22INO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKeyODSZGEXNKNBQIX-UHFFFAOYSA-N
MW467.35 g/mol
LogP6.82
Rot. Bonds6

About (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone

(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (PubChem CID 71454234) has the molecular formula C24H22INO and a molecular weight of 467.35 g/mol. Its IUPAC name is (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.

Molecular Properties

Compound Name(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
PubChem CID71454234
Molecular FormulaC24H22INO
Molecular Weight467.35 g/mol
Exact Mass467.07
IUPAC Name(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
SMILESCCCCCn1cc(C(=O)c2cccc3cccc(I)c23)c2ccccc21
InChIInChI=1S/C24H22INO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3
InChIKeyODSZGEXNKNBQIX-UHFFFAOYSA-N
XLogP6.82
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.35
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(8-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71463154
(1-butylindol-3-yl)-naphthalen-1-ylmethanone;(4-chloronaphthalen-1-yl)-(1-pentylindol-3-yl)methanone;naphthalen-1-yl-(1-pentylindol-3-yl)methanone
CID 159355298
(1-decylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857208
(1-decylindol-3-yl)-(4-iodophenyl)methanone
CID 170857204
3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
(1-butylindol-3-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 170857137
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557581
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148

Frequently Asked Questions

What is the IUPAC name of (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The IUPAC name of (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone (CID 71454234) is (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone.
What is the SMILES notation for (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The canonical SMILES for (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is CCCCCn1cc(C(=O)c2cccc3cccc(I)c23)c2ccccc21.
What is the InChIKey of (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
The InChIKey is ODSZGEXNKNBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22INO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3.
What are the key properties of (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone?
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone has a molecular weight of 467.35 g/mol, XLogP of 6.82, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone is sourced from PubChem (CID 71454234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).