3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile

C62H36N6 — CID 129313217

IUPAC3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)ccc(-n2c3ccccc3c3ccccc32)c1-c1c(-n2c3ccccc3c3ccccc32)ccc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C62H36N6/c63-37-47-57(65-49-25-9-1-17-39(49)40-18-2-10-26-50(40)65)33-35-59(67-53-29-13-5-21-43(53)44-22-6-14-30-54(44)67)61(47)62-48(38-64)58(66-51-27-11-3-19-41(51)42-20-4-12-28-52(42)66)34-36-60(62)68-55-31-15-7-23-45(55)46-24-8-16-32-56(46)68/h1-36H
InChIKeyABKLXMBZZVJDLJ-UHFFFAOYSA-N
MW865.01 g/mol
LogP15.49
Rot. Bonds5

About 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile

3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile (PubChem CID 129313217) has the molecular formula C62H36N6 and a molecular weight of 865.01 g/mol. Its IUPAC name is 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile.

Molecular Properties

Compound Name3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
PubChem CID129313217
Molecular FormulaC62H36N6
Molecular Weight865.01 g/mol
Exact Mass864.30
IUPAC Name3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
SMILESN#Cc1c(-n2c3ccccc3c3ccccc32)ccc(-n2c3ccccc3c3ccccc32)c1-c1c(-n2c3ccccc3c3ccccc32)ccc(-n2c3ccccc3c3ccccc32)c1C#N
InChIInChI=1S/C62H36N6/c63-37-47-57(65-49-25-9-1-17-39(49)40-18-2-10-26-50(40)65)33-35-59(67-53-29-13-5-21-43(53)44-22-6-14-30-54(44)67)61(47)62-48(38-64)58(66-51-27-11-3-19-41(51)42-20-4-12-28-52(42)66)34-36-60(62)68-55-31-15-7-23-45(55)46-24-8-16-32-56(46)68/h1-36H
InChIKeyABKLXMBZZVJDLJ-UHFFFAOYSA-N
XLogP15.49
TPSA67.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500865.01
LogP ≤ 515.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4,6-di(carbazol-9-yl)-5-[2,6-di(carbazol-9-yl)-3,4,5-tricyanophenyl]benzene-1,2,3-tricarbonitrile
CID 129312900
4-carbazol-9-yl-2-[3-(2-carbazol-9-ylphenyl)phenyl]benzene-1,3-dicarbonitrile
CID 155081385
4-(2-carbazol-9-ylphenyl)-2,3,5,6-tetrafluorobenzonitrile
CID 139507239
2,4-di(carbazol-9-yl)-6-[3,5-di(carbazol-9-yl)-2,4-dicyanophenyl]benzene-1,3-dicarbonitrile
CID 129312874
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
4,5-di(carbazol-9-yl)-3,6-diphenylbenzene-1,2-dicarbonitrile
CID 154596882
4-benzo[b]carbazol-5-yl-2-carbazol-9-ylbenzene-1,3-dicarbonitrile
CID 121329133
2-carbazol-9-yl-6-(3-carbazol-9-ylphenyl)benzonitrile
CID 138653750
2,6-di(carbazol-9-yl)-4-(2,4,6-trifluorophenyl)benzonitrile
CID 142489631
3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 71027447
3,4,5-tri(carbazol-9-yl)-2,6-diphenylbenzonitrile
CID 139441874
2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
CID 144984345

Frequently Asked Questions

What is the IUPAC name of 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile?
The IUPAC name of 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile (CID 129313217) is 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile.
What is the SMILES notation for 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile?
The canonical SMILES for 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile is N#Cc1c(-n2c3ccccc3c3ccccc32)ccc(-n2c3ccccc3c3ccccc32)c1-c1c(-n2c3ccccc3c3ccccc32)ccc(-n2c3ccccc3c3ccccc32)c1C#N.
What is the InChIKey of 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile?
The InChIKey is ABKLXMBZZVJDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H36N6/c63-37-47-57(65-49-25-9-1-17-39(49)40-18-2-10-26-50(40)65)33-35-59(67-53-29-13-5-21-43(53)44-22-6-14-30-54(44)67)61(47)62-48(38-64)58(66-51-27-11-3-19-41(51)42-20-4-12-28-52(42)66)34-36-60(62)68-55-31-15-7-23-45(55)46-24-8-16-32-56(46)68/h1-36H.
What are the key properties of 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile?
3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile has a molecular weight of 865.01 g/mol, XLogP of 15.49, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile is sourced from PubChem (CID 129313217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).