4-pentyl-3-phenyl-1H-indole

C19H21N — CID 52914929

IUPAC4-pentyl-3-phenyl-1H-indole
SMILESCCCCCc1cccc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C19H21N/c1-2-3-5-11-16-12-8-13-18-19(16)17(14-20-18)15-9-6-4-7-10-15/h4,6-10,12-14,20H,2-3,5,11H2,1H3
InChIKeyAECCIERUSWVYFH-UHFFFAOYSA-N
MW263.38 g/mol
LogP5.57
Rot. Bonds5

About 4-pentyl-3-phenyl-1H-indole

4-pentyl-3-phenyl-1H-indole (PubChem CID 52914929) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-pentyl-3-phenyl-1H-indole.

Molecular Properties

Compound Name4-pentyl-3-phenyl-1H-indole
PubChem CID52914929
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name4-pentyl-3-phenyl-1H-indole
SMILESCCCCCc1cccc2[nH]cc(-c3ccccc3)c12
InChIInChI=1S/C19H21N/c1-2-3-5-11-16-12-8-13-18-19(16)17(14-20-18)15-9-6-4-7-10-15/h4,6-10,12-14,20H,2-3,5,11H2,1H3
InChIKeyAECCIERUSWVYFH-UHFFFAOYSA-N
XLogP5.57
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.38
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-2,3-diphenylbenzene
CID 54065322
gold;1-pentyl-2-phenylbenzene
CID 174945702
3-phenyl-4-propoxy-1H-indole
CID 90764828
carbonic acid;1-hexyl-2-phenylbenzene
CID 67180533
(2-octyl-6-phenylphenyl)methanamine;hydrochloride
CID 118513340
formonitrile;1-pentyl-2-phenylbenzene
CID 67877805
3-heptyl-1H-indole
CID 15360907
acetic acid;1-hexyl-2-phenylbenzene
CID 155168340
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070

Frequently Asked Questions

What is the IUPAC name of 4-pentyl-3-phenyl-1H-indole?
The IUPAC name of 4-pentyl-3-phenyl-1H-indole (CID 52914929) is 4-pentyl-3-phenyl-1H-indole.
What is the SMILES notation for 4-pentyl-3-phenyl-1H-indole?
The canonical SMILES for 4-pentyl-3-phenyl-1H-indole is CCCCCc1cccc2[nH]cc(-c3ccccc3)c12.
What is the InChIKey of 4-pentyl-3-phenyl-1H-indole?
The InChIKey is AECCIERUSWVYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-2-3-5-11-16-12-8-13-18-19(16)17(14-20-18)15-9-6-4-7-10-15/h4,6-10,12-14,20H,2-3,5,11H2,1H3.
What are the key properties of 4-pentyl-3-phenyl-1H-indole?
4-pentyl-3-phenyl-1H-indole has a molecular weight of 263.38 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentyl-3-phenyl-1H-indole is sourced from PubChem (CID 52914929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).