3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane

C26H40N2 — CID 158241771

IUPAC3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane
SMILESCC.CC.CC.CC.CC(C1=CN=C2CC=CC=C12)C1=CN=C2C=CC=CC12
InChIInChI=1S/C18H16N2.4C2H6/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18;4*1-2/h2-8,10-13H,9H2,1H3;4*1-2H3
InChIKeyGFPWFNCJASWODZ-UHFFFAOYSA-N
MW380.62 g/mol
LogP8.03
Rot. Bonds2

About 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane

3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane (PubChem CID 158241771) has the molecular formula C26H40N2 and a molecular weight of 380.62 g/mol. Its IUPAC name is 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane.

Molecular Properties

Compound Name3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane
PubChem CID158241771
Molecular FormulaC26H40N2
Molecular Weight380.62 g/mol
Exact Mass380.32
IUPAC Name3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane
SMILESCC.CC.CC.CC.CC(C1=CN=C2CC=CC=C12)C1=CN=C2C=CC=CC12
InChIInChI=1S/C18H16N2.4C2H6/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18;4*1-2/h2-8,10-13H,9H2,1H3;4*1-2H3
InChIKeyGFPWFNCJASWODZ-UHFFFAOYSA-N
XLogP8.03
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.62
LogP ≤ 58.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-di(propan-2-yl)-6H-cyclopenta[c]pyridine
CID 20621283
6-methyl-6,7-dihydro-5H-indole
CID 69703521
6-(2-Propylpent-4-enyl)cyclopenta[b]pyrrole
CID 70163423
7-Methyl-3-propan-2-yl-4,4a-dihydrobenzo[g]quinoline
CID 70832201
(Z)-3-(5-cyclohexa-1,5-dien-1-yl-5-cyclohexa-2,4-dien-1-yl-3-methyl-4,4a-dihydrocyclopenta[b]pyridin-6-yl)-2-methylprop-2-en-1-amine
CID 71192691
1-(4-ethylcyclonona-2,3,5,7-tetraen-1-yl)-N-methylundecan-2-imine
CID 91153524
CID 123698691
CID 123698691
8-butan-2-yl-7-[(Z)-but-1-enyl]-6-methyl-2,3,5,6-tetrahydroquinoline
CID 123731352
3-ethyl-3aH-indole
CID 126640835
3-propyl-3aH-indole
CID 126641239
3-(7-cyclohexa-1,5-dien-1-ylheptyl)-5-(2-ethylpentyl)-3,4-dihydro-2H-pyrrole
CID 129215631
N-[(Z)-2-methylbut-1-enyl]-1-[2-(3-methylhex-4-en-3-yl)-2,3-dihydronaphthalen-1-yl]propan-1-imine
CID 130178634

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane?
The IUPAC name of 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane (CID 158241771) is 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane.
What is the SMILES notation for 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane?
The canonical SMILES for 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane is CC.CC.CC.CC.CC(C1=CN=C2CC=CC=C12)C1=CN=C2C=CC=CC12.
What is the InChIKey of 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane?
The InChIKey is GFPWFNCJASWODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2.4C2H6/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18;4*1-2/h2-8,10-13H,9H2,1H3;4*1-2H3.
What are the key properties of 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane?
3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane has a molecular weight of 380.62 g/mol, XLogP of 8.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3aH-indol-3-yl)ethyl]-7H-indole;ethane is sourced from PubChem (CID 158241771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).