5-butyl-1-phenylindole

C18H19N — CID 162411237

IUPAC5-butyl-1-phenylindole
SMILESCCCCc1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C18H19N/c1-2-3-7-15-10-11-18-16(14-15)12-13-19(18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3
InChIKeyCORQXWRVWVMGQA-UHFFFAOYSA-N
MW249.36 g/mol
LogP4.97
Rot. Bonds4

About 5-butyl-1-phenylindole

5-butyl-1-phenylindole (PubChem CID 162411237) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is 5-butyl-1-phenylindole.

Molecular Properties

Compound Name5-butyl-1-phenylindole
PubChem CID162411237
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name5-butyl-1-phenylindole
SMILESCCCCc1ccc2c(ccn2-c2ccccc2)c1
InChIInChI=1S/C18H19N/c1-2-3-7-15-10-11-18-16(14-15)12-13-19(18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3
InChIKeyCORQXWRVWVMGQA-UHFFFAOYSA-N
XLogP4.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1-phenylindol-5-yl)methanamine
CID 171652016
5-[2-iodo-4-(1-phenylindol-5-yl)-5-propylphenyl]-1-phenylindole
CID 143732789
2-butylpentacene
CID 172754039
2-butyltetracene
CID 177478805
2-butyl-6-propylnaphthalene
CID 58232616
6,18-bis(4-dodecylphenyl)-6,18-diazahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 144783614
9-(4-butylphenyl)-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 163903365
2-butyl-6-propylnaphthalene;propane
CID 123540121
5-chloro-2-[(1-phenylindol-5-yl)methyl]benzoic acid;methyl 5-chloro-2-[(1-phenylindol-5-yl)methyl]benzoate
CID 158683680
6,16-bis[2-(4-butylphenyl)ethyl]pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaene
CID 168727375
3-(1-hexylindol-5-yl)propanoic acid
CID 20770765
3,6-dibutyl-9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]carbazole
CID 59845057

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-phenylindole?
The IUPAC name of 5-butyl-1-phenylindole (CID 162411237) is 5-butyl-1-phenylindole.
What is the SMILES notation for 5-butyl-1-phenylindole?
The canonical SMILES for 5-butyl-1-phenylindole is CCCCc1ccc2c(ccn2-c2ccccc2)c1.
What is the InChIKey of 5-butyl-1-phenylindole?
The InChIKey is CORQXWRVWVMGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N/c1-2-3-7-15-10-11-18-16(14-15)12-13-19(18)17-8-5-4-6-9-17/h4-6,8-14H,2-3,7H2,1H3.
What are the key properties of 5-butyl-1-phenylindole?
5-butyl-1-phenylindole has a molecular weight of 249.36 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-phenylindole is sourced from PubChem (CID 162411237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).