Dim-C-pphtbu

CAT: 0926-UDA94480-05Size: 1000 mgDry Ice: NoHazardous: No

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CAT#:0926-UDA94480-05Size:1000 mg

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CAS Number

94944-80-6

MDL Number

MFCD18082348

Smiles

CC (C) (C) C1=CC=C (C=C1) C (C2=CNC3=CC=CC=C32) C4=CNC5=CC=CC=C54

Molecular Formula

C27H26N2

Molecular Weight

378.5 g/mol

Controlled

Chemical Information

3,3'-((4-(tert-Butyl)phenyl)methylene)bis(1H-indole)

CAS Number	94944-80-6
PubChem CID	11245918
IUPAC Name	3-[(4-tert-butylphenyl)-(1H-indol-3-yl)methyl]-1H-indole
Molecular Formula	C27H26N2
Molecular Weight	378.5
XLogP	7.2
Topological Polar Surface Area	31.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	511

SMILES

CC(C)(C)C1=CC=C(C=C1)C(C2=CNC3=CC=CC=C32)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C27H26N2/c1-27(2,3)19-14-12-18(13-15-19)26(22-16-28-24-10-6-4-8-20(22)24)23-17-29-25-11-7-5-9-21(23)25/h4-17,26,28-29H,1-3H3

InChIKey

NCPVEZRBHNDCIV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 94944-80-6

CID: 11245918

Formula: C27H26N2

MW: 378.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	378.5
XLogP3	7.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	378.209598838
Monoisotopic Mass	378.209598838
Topological Polar Surface Area	31.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	511
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
GJC44740-01	(2Z) -2-[ (2E,4E) -5-[1-[6- (3-Azidopropylamino) -6-oxohexyl]-3,3-dimethyl-5-sulfoindol-1-ium-2-yl]penta-2,4-dienylidene]-1-ethyl-3,3-dim ethylindole-5-sulfonate
ZAA26005-01	C-Cyclopentyl-C-phenyl-methylamine hydrochloride
CRB1110654-01	AAA-C (AF647) C-Terminal Sortagging
CRB1110653-01	GGG-C (AF647) C-Terminal Sortagging
ZYB60135-01	C 101
LEA84310-01	Hancinone C
JCA92678-01	Malformin C
JBA21153-01	Tovopyrifolin C
IEA52539-01	Eupahualin C
PCA93851-01	Schisantherin C