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C-DIM12

CAT: 0127-BUP15678-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP15678-04Size:100 mg
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CAS Number
178946-89-9
Purity
=95%
Smiles
Clc1ccc(cc1)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

Chemical Information

3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CAS Number178946-89-9
PubChem CID5302583
IUPAC Name3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
Molecular FormulaC23H17ClN2
Molecular Weight356.8
XLogP6.2
Topological Polar Surface Area31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity443
SMILES
C1=CC=C2C(=C1)C(=CN2)C(C3=CC=C(C=C3)Cl)C4=CNC5=CC=CC=C54
InChI
InChI=1S/C23H17ClN2/c24-16-11-9-15(10-12-16)23(19-13-25-21-7-3-1-5-17(19)21)20-14-26-22-8-4-2-6-18(20)22/h1-14,23,25-26H
InChIKey
LTLRXTDMXOFBDW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[(4-chlorophenyl)-(1H-indol-3-yl)methyl]-1H-indole
CAS: 178946-89-9
CID: 5302583
Formula: C23H17ClN2
MW: 356.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight356.8
XLogP36.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass356.1080262
Monoisotopic Mass356.1080262
Topological Polar Surface Area31.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity443
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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