CID 102337273

1469705-37-0

Structural Information

Molecular Formula
C104H64N6
SMILES
C1=CC=C(C=C1)C2=CC3=C(C=C2)N(C4=C3C=C(C=C4)C5=CC=CC=C5)C6=C(C(=C(C(=C6C#N)N7C8=C(C=C(C=C8)C9=CC=CC=C9)C1=C7C=CC(=C1)C1=CC=CC=C1)N1C2=C(C=C(C=C2)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC=CC=C1)N1C2=C(C=C(C=C2)C2=CC=CC=C2)C2=C1C=CC(=C2)C1=CC=CC=C1)C#N
InChI
InChI=1S/C104H64N6/c105-65-91-101(107-93-49-41-75(67-25-9-1-10-26-67)57-83(93)84-58-76(42-50-94(84)107)68-27-11-2-12-28-68)92(66-106)103(109-97-53-45-79(71-33-17-5-18-34-71)61-87(97)88-62-80(46-54-98(88)109)72-35-19-6-20-36-72)104(110-99-55-47-81(73-37-21-7-22-38-73)63-89(99)90-64-82(48-56-100(90)110)74-39-23-8-24-40-74)102(91)108-95-51-43-77(69-29-13-3-14-30-69)59-85(95)86-60-78(44-52-96(86)108)70-31-15-4-16-32-70/h1-64H
InChIKey
JKYHVKMIXLRMJW-UHFFFAOYSA-N
Compound name
2,4,5,6-tetrakis(3,6-diphenylcarbazol-9-yl)benzene-1,3-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

1396.5193 Da
Monoisotopic Mass

26.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1397.5266 265.5
[M+Na]+ 1419.5085 276.1
[M-H]- 1395.5120 266.5
[M+NH4]+ 1414.5531 270.2
[M+K]+ 1435.4825 270.3
[M+H-H2O]+ 1379.5166 258.1
[M+HCOO]- 1441.5175 271.1
[M+CH3COO]- 1455.5332 272.5
[M+Na-2H]- 1417.4940 273.8
[M]+ 1396.5188 293.1
[M]- 1396.5198 293.1
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