1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine

C32H34N4 — CID 101242966

IUPAC1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine
SMILESCCCCn1cc(N(c2c[nH]c3ccccc23)c2cn(CCCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C32H34N4/c1-3-5-19-34-22-31(25-14-8-11-17-28(25)34)36(30-21-33-27-16-10-7-13-24(27)30)32-23-35(20-6-4-2)29-18-12-9-15-26(29)32/h7-18,21-23,33H,3-6,19-20H2,1-2H3
InChIKeyTVEVZVUGZWSGFF-UHFFFAOYSA-N
MW474.65 g/mol
LogP9.15
Rot. Bonds9

About 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine

1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine (PubChem CID 101242966) has the molecular formula C32H34N4 and a molecular weight of 474.65 g/mol. Its IUPAC name is 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine.

Molecular Properties

Compound Name1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine
PubChem CID101242966
Molecular FormulaC32H34N4
Molecular Weight474.65 g/mol
Exact Mass474.28
IUPAC Name1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine
SMILESCCCCn1cc(N(c2c[nH]c3ccccc23)c2cn(CCCC)c3ccccc23)c2ccccc21
InChIInChI=1S/C32H34N4/c1-3-5-19-34-22-31(25-14-8-11-17-28(25)34)36(30-21-33-27-16-10-7-13-24(27)30)32-23-35(20-6-4-2)29-18-12-9-15-26(29)32/h7-18,21-23,33H,3-6,19-20H2,1-2H3
InChIKeyTVEVZVUGZWSGFF-UHFFFAOYSA-N
XLogP9.15
TPSA28.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 59.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine with MolForge

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Related Compounds

4-(1-butylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione
CID 59616555
1-butyl-3-[1H-indol-3-yl-[4-(trifluoromethyl)phenyl]methyl]indole
CID 139526216
(1-butylindol-3-yl) propanoate
CID 174769322
2-(1-dodecylindol-3-yl)-2-oxoacetamide
CID 174644392
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-ethenyl-1-hexylindole
CID 141093384
N,N-dimethyl-3-(1-octylindol-3-yl)propan-1-amine
CID 70686044
ethyl 1-hexyl-4-sulfanylidenequinoline-3-carboxylate
CID 129111778
2-(1-butylindol-3-yl)propanedioyl dichloride
CID 156786445
trimethyl-[(1-octylindol-3-yl)methyl]azanium iodide
CID 70692357
3-[chloro-(1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-propylindole
CID 155772223
3-heptyl-1H-indole
CID 15360907

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine?
The IUPAC name of 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine (CID 101242966) is 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine.
What is the SMILES notation for 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine?
The canonical SMILES for 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine is CCCCn1cc(N(c2c[nH]c3ccccc23)c2cn(CCCC)c3ccccc23)c2ccccc21.
What is the InChIKey of 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine?
The InChIKey is TVEVZVUGZWSGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N4/c1-3-5-19-34-22-31(25-14-8-11-17-28(25)34)36(30-21-33-27-16-10-7-13-24(27)30)32-23-35(20-6-4-2)29-18-12-9-15-26(29)32/h7-18,21-23,33H,3-6,19-20H2,1-2H3.
What are the key properties of 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine?
1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine has a molecular weight of 474.65 g/mol, XLogP of 9.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(1-butylindol-3-yl)-N-(1H-indol-3-yl)indol-3-amine is sourced from PubChem (CID 101242966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).