3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole

C26H32N2 — CID 143539273

IUPAC3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole
SMILESCC1=Nc2cc(C)ccc2C1CCCCCC1(C)C(C)=Nc2cc(C)ccc21
InChIInChI=1S/C26H32N2/c1-17-10-12-22-21(19(3)27-24(22)15-17)9-7-6-8-14-26(5)20(4)28-25-16-18(2)11-13-23(25)26/h10-13,15-16,21H,6-9,14H2,1-5H3
InChIKeyBKDUYSWJLASOBR-UHFFFAOYSA-N
MW372.56 g/mol
LogP7.51
Rot. Bonds6

About 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole

3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole (PubChem CID 143539273) has the molecular formula C26H32N2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole.

Molecular Properties

Compound Name3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole
PubChem CID143539273
Molecular FormulaC26H32N2
Molecular Weight372.56 g/mol
Exact Mass372.26
IUPAC Name3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole
SMILESCC1=Nc2cc(C)ccc2C1CCCCCC1(C)C(C)=Nc2cc(C)ccc21
InChIInChI=1S/C26H32N2/c1-17-10-12-22-21(19(3)27-24(22)15-17)9-7-6-8-14-26(5)20(4)28-25-16-18(2)11-13-23(25)26/h10-13,15-16,21H,6-9,14H2,1-5H3
InChIKeyBKDUYSWJLASOBR-UHFFFAOYSA-N
XLogP7.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxysulfanylbutyl)-2,3-dimethylindole
CID 145279729
4-(2,3-dimethylindol-3-yl)butanoic acid
CID 59360624
9-hexyl-2,7,9-trimethylfluorene
CID 123978298
2-(9-butyl-7-methyl-9-octylfluoren-2-yl)-7-methyl-9,9-dioctylfluorene;2,7-dimethyl-9-octyl-9H-fluorene
CID 159194802
propane;2,3,5-trimethyl-3H-indole
CID 142037175
2-(2,3-dimethylindol-3-yl)ethylphosphonic acid
CID 58084036
7-methyl-2,3,3a,9b-tetrahydro-1H-cyclopenta[c]quinolin-4-amine
CID 22462463
(2R,3S)-1,1,2,3,4,4,6-heptamethyl-2,3-dihydronaphthalene
CID 165351441
2,9-dimethyl-9-propylfluorene
CID 58051803
2-[(1R,4S)-4,7-dimethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanol
CID 57386974
5-[9-[5-(dimethylamino)pentyl]-2,7-dimethylfluoren-9-yl]-N,N-dimethylpentan-1-amine
CID 118000276
sodium;ethyl 2-(1,2-dimethylbenzo[e]indol-1-yl)acetate;ethyl 2-(1,2,7-trimethylbenzo[e]indol-1-yl)acetate
CID 159637671

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole?
The IUPAC name of 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole (CID 143539273) is 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole.
What is the SMILES notation for 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole?
The canonical SMILES for 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole is CC1=Nc2cc(C)ccc2C1CCCCCC1(C)C(C)=Nc2cc(C)ccc21.
What is the InChIKey of 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole?
The InChIKey is BKDUYSWJLASOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2/c1-17-10-12-22-21(19(3)27-24(22)15-17)9-7-6-8-14-26(5)20(4)28-25-16-18(2)11-13-23(25)26/h10-13,15-16,21H,6-9,14H2,1-5H3.
What are the key properties of 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole?
3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole has a molecular weight of 372.56 g/mol, XLogP of 7.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-dimethyl-3H-indol-3-yl)pentyl]-2,3,6-trimethylindole is sourced from PubChem (CID 143539273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).