3,3′-Diindolylmethane

C17H14N2CAS 1968-05-4246.31 g/mol

Open in Covalent MOL file
HNNH

Properties

Molecular formula
C17H14N2
Molar mass
246.31 g/mol
Exact mass
246.1157 Da
Melting point
167 °C
Boiling point
230 °C (at 0.01 Torr)
logP
4.24Crippen estimate
Polar surface area
31.6 Ų
H-bond donors / acceptors
2 / 0
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1968-05-4
SMILES
c1ccc2c(Cc3c[nH]c4ccccc34)c[nH]c2c1
InChIKey
VFTRKSBEFQDZKX-UHFFFAOYSA-N
InChI
InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2

Weigh it out

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Names and synonyms

18 names · show all
  • 3,3'-Diindolylmethane
  • 1H-Indole, 3,3′-methylenebis-
  • Indole, 3,3′-methylenedi-
  • 3,3′-Methylenebis[1H-indole]
  • 3,3′-Bisindolylmethane
  • Arundine
  • Bis(3-indolyl)methane
  • HB 236
  • Bis(1H-indol-3-yl)methane
  • DIM (AhR agonist)
  • DIM (diindolylmethane)
  • Cervicon-DIM
  • Infemin
  • Diindolylmethane
  • Di(1H-indol-3-yl)methane
  • DIM
  • 3,3′-Methanediyldi(1H-indole)
  • 3-[(1H-Indol-3-yl)methyl]-1H-indole

Work with 3,3′-Diindolylmethane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Indole-3-carbinol700-06-167 % similar 3-(2-Bromoethyl)indole3389-21-764 % similar Tryptophol526-55-664 % similar Tryptamine61-54-164 % similar Indole-3-acetonitrile771-51-762 % similar Indole-3-acetaldehyde2591-98-260 % similar Indole-3-propanol3569-21-960 % similar Gramine87-52-560 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ellipticine519-23-3

Elsewhere

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