3-[1-(1H-indol-3-yl)butyl]-1H-indole

HCID 10266133CAS 5030-92-2
Substructure searchFind similar structures

Basic information

Standard SMILES
CCCC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIKey
YJCSYGCYBUOJMI-UHFFFAOYSA-N
Molecular formula
C20H20N2
Average molar mass
288.4 g/mol
Monoisotopic mass
288.16264864

Overview

3,3'-(butane-1,1-diyl)bis(1H-indole) has been reported in Pseudovibrio denitrificans with data available.

Names & identifiers

Preferred name
3-[1-(1H-indol-3-yl)butyl]-1H-indole
IUPAC
3-[1-(1H-indol-3-yl)butyl]-1H-indole
English name
1H-Indole, 3,3'-butylidenebis-
Molecular formula
C20H20N2
Molecular weight
288.39

Names & synonyms

5030-92-23-[1-(1H-indol-3-yl)butyl]-1H-indole3,3'-(butane-1,1-diyl)bis(1H-indole)Vibrindole B1H-Indole, 3,3'-butylidenebis-1,1-di-indol-3-yl-butaneSCHEMBL5851244CHEMBL4063898SCHEMBL29863235YJCSYGCYBUOJMI-UHFFFAOYSA-NDTXSID1013071033,3a(2)-Butylidenebis[1H-indole]
Show more names
EBC-609140PD1332003,3'-(Butane-1,1-diyl)di(1H-indole)EN300-37271490

Database identifiers

CAS
5030-92-2
PubChem CID
10266133
DTXSID
DTXSID101307103
ChEMBL
CHEMBL4063898
Nikkaji
J1.873.231I

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
31.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
0
Rotatable bonds
4
Heavy atoms
22

Physicochemical properties

Melting point
155 °C · 155 °C
Boiling point
511.8 · 511.8±30.0 °C(Predicted)
Density
1.182 · 1.182±0.06 g/cm3(Predicted)
pka
16.83 · 16.83±0.30(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers1 total

南京世洲生物科技有限公司13675144456 · [email protected]

Related reactions

2 records
New reaction record

Linked notes

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