4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole

C25H25N — CID 86686446

IUPAC4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole
SMILESCCCC(C)n1ccc2c(/C=C\c3cccc4ccccc34)cccc21
InChIInChI=1S/C25H25N/c1-3-8-19(2)26-18-17-24-22(12-7-14-25(24)26)16-15-21-11-6-10-20-9-4-5-13-23(20)21/h4-7,9-19H,3,8H2,1-2H3/b16-15-
InChIKeyDGQSCUJOMVJBPF-NXVVXOECSA-N
MW339.48 g/mol
LogP7.33
Rot. Bonds5

About 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole

4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole (PubChem CID 86686446) has the molecular formula C25H25N and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole.

Molecular Properties

Compound Name4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole
PubChem CID86686446
Molecular FormulaC25H25N
Molecular Weight339.48 g/mol
Exact Mass339.20
IUPAC Name4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole
SMILESCCCC(C)n1ccc2c(/C=C\c3cccc4ccccc34)cccc21
InChIInChI=1S/C25H25N/c1-3-8-19(2)26-18-17-24-22(12-7-14-25(24)26)16-15-21-11-6-10-20-9-4-5-13-23(20)21/h4-7,9-19H,3,8H2,1-2H3/b16-15-
InChIKeyDGQSCUJOMVJBPF-NXVVXOECSA-N
XLogP7.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole?
The IUPAC name of 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole (CID 86686446) is 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole.
What is the SMILES notation for 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole?
The canonical SMILES for 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole is CCCC(C)n1ccc2c(/C=C\c3cccc4ccccc34)cccc21.
What is the InChIKey of 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole?
The InChIKey is DGQSCUJOMVJBPF-NXVVXOECSA-N. The full InChI is InChI=1S/C25H25N/c1-3-8-19(2)26-18-17-24-22(12-7-14-25(24)26)16-15-21-11-6-10-20-9-4-5-13-23(20)21/h4-7,9-19H,3,8H2,1-2H3/b16-15-.
What are the key properties of 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole?
4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole has a molecular weight of 339.48 g/mol, XLogP of 7.33, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-naphthalen-1-ylethenyl]-1-pentan-2-ylindole is sourced from PubChem (CID 86686446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).