6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole

C24H23FN2 — CID 68762293

IUPAC6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole
SMILESC=C(c1ccc2[nH]c3nccc(CCCCC)c3c2c1)c1ccccc1F
InChIInChI=1S/C24H23FN2/c1-3-4-5-8-17-13-14-26-24-23(17)20-15-18(11-12-22(20)27-24)16(2)19-9-6-7-10-21(19)25/h6-7,9-15H,2-5,8H2,1H3,(H,26,27)
InChIKeyZFOCGRKTYDSCNZ-UHFFFAOYSA-N
MW358.46 g/mol
LogP6.65
Rot. Bonds6

About 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole

6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole (PubChem CID 68762293) has the molecular formula C24H23FN2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole.

Molecular Properties

Compound Name6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole
PubChem CID68762293
Molecular FormulaC24H23FN2
Molecular Weight358.46 g/mol
Exact Mass358.18
IUPAC Name6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole
SMILESC=C(c1ccc2[nH]c3nccc(CCCCC)c3c2c1)c1ccccc1F
InChIInChI=1S/C24H23FN2/c1-3-4-5-8-17-13-14-26-24-23(17)20-15-18(11-12-22(20)27-24)16(2)19-9-6-7-10-21(19)25/h6-7,9-15H,2-5,8H2,1H3,(H,26,27)
InChIKeyZFOCGRKTYDSCNZ-UHFFFAOYSA-N
XLogP6.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole?
The IUPAC name of 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole (CID 68762293) is 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole.
What is the SMILES notation for 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole?
The canonical SMILES for 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole is C=C(c1ccc2[nH]c3nccc(CCCCC)c3c2c1)c1ccccc1F.
What is the InChIKey of 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole?
The InChIKey is ZFOCGRKTYDSCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2/c1-3-4-5-8-17-13-14-26-24-23(17)20-15-18(11-12-22(20)27-24)16(2)19-9-6-7-10-21(19)25/h6-7,9-15H,2-5,8H2,1H3,(H,26,27).
What are the key properties of 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole?
6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole has a molecular weight of 358.46 g/mol, XLogP of 6.65, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-fluorophenyl)ethenyl]-4-pentyl-9H-pyrido[2,3-b]indole is sourced from PubChem (CID 68762293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).