1-pentyl-2-phenylindole

C19H21N — CID 54214068

IUPAC1-pentyl-2-phenylindole
SMILESCCCCCn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C19H21N/c1-2-3-9-14-20-18-13-8-7-12-17(18)15-19(20)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3
InChIKeyPXXFFNOEKDEWOE-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.50
Rot. Bonds5

About 1-pentyl-2-phenylindole

1-pentyl-2-phenylindole (PubChem CID 54214068) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-pentyl-2-phenylindole.

Molecular Properties

Compound Name1-pentyl-2-phenylindole
PubChem CID54214068
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name1-pentyl-2-phenylindole
SMILESCCCCCn1c(-c2ccccc2)cc2ccccc21
InChIInChI=1S/C19H21N/c1-2-3-9-14-20-18-13-8-7-12-17(18)15-19(20)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3
InChIKeyPXXFFNOEKDEWOE-UHFFFAOYSA-N
XLogP5.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.50
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

hydrogen sulfite;2-phenyl-1-propylindole
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1-butyl-2-(4-nitrophenyl)indole
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2-methyl-1-tetradecylindole
CID 19869962
1-(3-methylbut-3-enyl)-2-phenylindole
CID 114476740
1-nonyl-2-propylindole
CID 19869956
1-phenyl-3-(2-phenylindol-1-yl)propan-1-one
CID 151018616
trifluoro-[(2-phenylindol-1-yl)methyl]boranuide
CID 63702309
benzene;1-methyl-2-phenylindole
CID 158316839
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]-2-phenylindole
CID 4680797
[2-hydroxy-3-[4-(1-pentylindol-2-yl)phenoxy]propyl] 2-methylprop-2-enoate
CID 135308425
10-propylacridin-3-one
CID 158430562
benzene;9-octylcarbazole
CID 175067369

Frequently Asked Questions

What is the IUPAC name of 1-pentyl-2-phenylindole?
The IUPAC name of 1-pentyl-2-phenylindole (CID 54214068) is 1-pentyl-2-phenylindole.
What is the SMILES notation for 1-pentyl-2-phenylindole?
The canonical SMILES for 1-pentyl-2-phenylindole is CCCCCn1c(-c2ccccc2)cc2ccccc21.
What is the InChIKey of 1-pentyl-2-phenylindole?
The InChIKey is PXXFFNOEKDEWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-3-9-14-20-18-13-8-7-12-17(18)15-19(20)16-10-5-4-6-11-16/h4-8,10-13,15H,2-3,9,14H2,1H3.
What are the key properties of 1-pentyl-2-phenylindole?
1-pentyl-2-phenylindole has a molecular weight of 263.38 g/mol, XLogP of 5.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-2-phenylindole is sourced from PubChem (CID 54214068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).