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DMIC-TRz, Sublimed, > 99.9% (HPLC)

CAT: 0127-OR1043104-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1043104-01Size:100 mg
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CAS Number
1257248-13-7
Purity
98%
Smiles
CC1(C)c2cc3c(cc2-c2c1cccc2)c1c(n3c2cccc(c2)c2nc(nc(n2)c2ccccc2)c2ccccc2)cccc1

Chemical Information

5-(3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-7,7-dimethyl-5,7-dihydroindeno[2,1-b]carbazole
CAS Number1257248-13-7
PubChem CID66797894
IUPAC Name5-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-7,7-dimethylindeno[2,1-b]carbazole
Molecular FormulaC42H30N4
Molecular Weight590.7
XLogP10.5
Topological Polar Surface Area43.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count46
Formal Charge0
Complexity1000
SMILES
CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=CC=CC=C5N4C6=CC=CC(=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C
InChI
InChI=1S/C42H30N4/c1-42(2)35-22-11-9-20-31(35)33-25-34-32-21-10-12-23-37(32)46(38(34)26-36(33)42)30-19-13-18-29(24-30)41-44-39(27-14-5-3-6-15-27)43-40(45-41)28-16-7-4-8-17-28/h3-26H,1-2H3
InChIKey
RGTWCCOQVAMEIV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-(4,6-Diphenyl-1,3,5-triazin-2-yl)phenyl)-7,7-dimethyl-5,7-dihydroindeno[2,1-b]carbazole
CAS: 1257248-13-7
CID: 66797894
Formula: C42H30N4
MW: 590.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight590.7
XLogP310.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass590.24704697
Monoisotopic Mass590.24704697
Topological Polar Surface Area43.6 Ų
Heavy Atom Count46
Formal Charge0
Complexity1000
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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