3,3'-Diindolylmethane

CAT: 0024-sc-204624ASize: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-204624ASize:500 mg

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CAS Number

1968-05-4

Chemical Information

3,3'-Diindolylmethane

3,3'-diindolylmethane is a member of indoles. It has a role as an antineoplastic agent and a P450 inhibitor.

CAS Number	1968-05-4
PubChem CID	3071
IUPAC Name	3-(1H-indol-3-ylmethyl)-1H-indole
Molecular Formula	C17H14N2
Molecular Weight	246.31
XLogP	4.3
Topological Polar Surface Area	31.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	286

SMILES

C1=CC=C2C(=C1)C(=CN2)CC3=CNC4=CC=CC=C43

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

InChIKey

VFTRKSBEFQDZKX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1968-05-4

CID: 3071

Formula: C17H14N2

MW: 246.31

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.31
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	246.115698455
Monoisotopic Mass	246.115698455
Topological Polar Surface Area	31.6 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	286
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-260433	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-260433A	3- (3,3,3-Trifluoropropyl) heptamethyltrisiloxane
sc-261129	3,3,3-Trifluoropropionitrile
sc-347307A	3,3,3-trifluoropropanamide
sc-474290	3,3,3-Trimethoxypropanenitrile
sc-261128A	3,3,3-Trifluoropropionaldehyde
sc-261132	3,3,3-Trifluoropropylamine
sc-261128	3,3,3-Trifluoropropionaldehyde
sc-347308A	3,3,3-trifluoropropanehydrazide
sc-347308	3,3,3-trifluoropropanehydrazide