CID 135132838

2055722-93-3

Structural Information

Molecular Formula
C87H97N5
SMILES
CC(C)(C)C1=CC2=C(C=C1)N(C3=C2C=C(C=C3)C(C)(C)C)C4=CC(=C(C(=C4N5C6=C(C=C(C=C6)C(C)(C)C)C7=C5C=CC(=C7)C(C)(C)C)C#N)N8C9=C(C=C(C=C9)C(C)(C)C)C1=C8C=CC(=C1)C(C)(C)C)N1C2=C(C=C(C=C2)C(C)(C)C)C2=C1C=CC(=C2)C(C)(C)C
InChI
InChI=1S/C87H97N5/c1-80(2,3)51-25-33-68-59(41-51)60-42-52(81(4,5)6)26-34-69(60)89(68)76-49-77(90-70-35-27-53(82(7,8)9)43-61(70)62-44-54(83(10,11)12)28-36-71(62)90)79(92-74-39-31-57(86(19,20)21)47-65(74)66-48-58(87(22,23)24)32-40-75(66)92)67(50-88)78(76)91-72-37-29-55(84(13,14)15)45-63(72)64-46-56(85(16,17)18)30-38-73(64)91/h25-49H,1-24H3
InChIKey
VUUZCXZPRBJDHJ-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrakis(3,6-ditert-butylcarbazol-9-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

1211.7744 Da
Monoisotopic Mass

27.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1212.7817 308.0
[M+Na]+ 1234.7636 312.9
[M+NH4]+ 1229.8082 311.0
[M+K]+ 1250.7376 314.7
[M-H]- 1210.7671 310.0
[M+Na-2H]- 1232.7491 310.0
[M]+ 1211.7739 310.4
[M]- 1211.7749 310.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe