PubChemLite - 944465-42-3 (C72H48N4Si)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC(=CC(=C3)N4C5=CC=CC=C5C6=CC=CC=C64)N7C8=CC=CC=C8C9=CC=CC=C97)C1=CC(=CC(=C1)N1C2=CC=CC=C2C2=CC=CC=C21)N1C2=CC=CC=C2C2=CC=CC=C21

InChI

InChI=1S/C72H48N4Si/c1-3-23-53(24-4-1)77(54-25-5-2-6-26-54,55-45-49(73-65-35-15-7-27-57(65)58-28-8-16-36-66(58)73)43-50(46-55)74-67-37-17-9-29-59(67)60-30-10-18-38-68(60)74)56-47-51(75-69-39-19-11-31-61(69)62-32-12-20-40-70(62)75)44-52(48-56)76-71-41-21-13-33-63(71)64-34-14-22-42-72(64)76/h1-48H

InChIKey

FCDNEESKPPIAJZ-UHFFFAOYSA-N

Compound name

bis[3,5-di(carbazol-9-yl)phenyl]-diphenylsilane

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	997.37208	304.2
[M+Na]+	1019.3540	328.2
[M+NH4]+	1014.3986	312.0
[M+K]+	1035.3280	316.1
[M-H]-	995.35752	320.6
[M+Na-2H]-	1017.3395	314.4
[M]+	996.36425	313.5
[M]-	996.36535	313.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

997.37208

304.2

[M+Na]+

1019.3540

328.2

[M+NH4]+

1014.3986

312.0

[M+K]+

1035.3280

316.1

[M-H]-

995.35752

320.6

[M+Na-2H]-

1017.3395

314.4

[M]+

996.36425

313.5

[M]-

996.36535

313.5

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

944465-42-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe