1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole

C29H31N — CID 144557561

IUPAC1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole
SMILESC=C(CCC)CCCCn1cc(C(=C)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C29H31N/c1-4-12-22(2)13-9-10-20-30-21-28(27-17-7-8-19-29(27)30)23(3)25-18-11-15-24-14-5-6-16-26(24)25/h5-8,11,14-19,21H,2-4,9-10,12-13,20H2,1H3
InChIKeyURAXSTRQPQXFLV-UHFFFAOYSA-N
MW393.57 g/mol
LogP8.38
Rot. Bonds9

About 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole

1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole (PubChem CID 144557561) has the molecular formula C29H31N and a molecular weight of 393.57 g/mol. Its IUPAC name is 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole.

Molecular Properties

Compound Name1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole
PubChem CID144557561
Molecular FormulaC29H31N
Molecular Weight393.57 g/mol
Exact Mass393.25
IUPAC Name1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole
SMILESC=C(CCC)CCCCn1cc(C(=C)c2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C29H31N/c1-4-12-22(2)13-9-10-20-30-21-28(27-17-7-8-19-29(27)30)23(3)25-18-11-15-24-14-5-6-16-26(24)25/h5-8,11,14-19,21H,2-4,9-10,12-13,20H2,1H3
InChIKeyURAXSTRQPQXFLV-UHFFFAOYSA-N
XLogP8.38
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.57
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557582
ethane;3-(1-naphthalen-1-ylethenyl)-1-pentylindole
CID 144557581
ethyl 4-[3-(naphthalene-1-carbonyl)indol-1-yl]butanoate
CID 72948236
(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-(5-aminopentyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 155516632
[1-(5-hydroxyhexyl)indol-3-yl]-naphthalen-1-ylmethanone
CID 117065193
(1-butyl-4-hydroxyindol-3-yl)-naphthalen-1-ylmethanone
CID 53394452
(8-iodonaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 71454234
4-(3-tridecanoylindol-1-yl)butanoic acid
CID 22400493
6-bromo-1-(1-butylindol-3-yl)hexan-1-one
CID 54167344
(2-methoxynaphthalen-1-yl)-(1-pentylindol-3-yl)methanone
CID 11268746

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole?
The IUPAC name of 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole (CID 144557561) is 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole.
What is the SMILES notation for 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole?
The canonical SMILES for 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole is C=C(CCC)CCCCn1cc(C(=C)c2cccc3ccccc23)c2ccccc21.
What is the InChIKey of 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole?
The InChIKey is URAXSTRQPQXFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N/c1-4-12-22(2)13-9-10-20-30-21-28(27-17-7-8-19-29(27)30)23(3)25-18-11-15-24-14-5-6-16-26(24)25/h5-8,11,14-19,21H,2-4,9-10,12-13,20H2,1H3.
What are the key properties of 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole?
1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole has a molecular weight of 393.57 g/mol, XLogP of 8.38, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylideneoctyl)-3-(1-naphthalen-1-ylethenyl)indole is sourced from PubChem (CID 144557561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).