ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole

C27H31N — CID 144557581

IUPACethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
SMILESC=C(c1cccc2ccccc12)c1cn(CCCCC)c2ccccc12.CC
InChIInChI=1S/C25H25N.C2H6/c1-3-4-9-17-26-18-24(23-14-7-8-16-25(23)26)19(2)21-15-10-12-20-11-5-6-13-22(20)21;1-2/h5-8,10-16,18H,2-4,9,17H2,1H3;1-2H3
InChIKeyORFITMWOBDYNEN-UHFFFAOYSA-N
MW369.55 g/mol
LogP8.07
Rot. Bonds6

About ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole

ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole (PubChem CID 144557581) has the molecular formula C27H31N and a molecular weight of 369.55 g/mol. Its IUPAC name is ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole.

Molecular Properties

Compound Nameethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
PubChem CID144557581
Molecular FormulaC27H31N
Molecular Weight369.55 g/mol
Exact Mass369.25
IUPAC Nameethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
SMILESC=C(c1cccc2ccccc12)c1cn(CCCCC)c2ccccc12.CC
InChIInChI=1S/C25H25N.C2H6/c1-3-4-9-17-26-18-24(23-14-7-8-16-25(23)26)19(2)21-15-10-12-20-11-5-6-13-22(20)21;1-2/h5-8,10-16,18H,2-4,9,17H2,1H3;1-2H3
InChIKeyORFITMWOBDYNEN-UHFFFAOYSA-N
XLogP8.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.55
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole
CID 144557561
(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
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
(4-methylphenyl)-(1-pentylindol-3-yl)methanone
CID 170857148
[1-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 117065193

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole?
The IUPAC name of ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole (CID 144557581) is ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole.
What is the SMILES notation for ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole?
The canonical SMILES for ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole is C=C(c1cccc2ccccc12)c1cn(CCCCC)c2ccccc12.CC.
What is the InChIKey of ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole?
The InChIKey is ORFITMWOBDYNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N.C2H6/c1-3-4-9-17-26-18-24(23-14-7-8-16-25(23)26)19(2)21-15-10-12-20-11-5-6-13-22(20)21;1-2/h5-8,10-16,18H,2-4,9,17H2,1H3;1-2H3.
What are the key properties of ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole?
ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole has a molecular weight of 369.55 g/mol, XLogP of 8.07, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole is sourced from PubChem (CID 144557581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).