3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile

C31H17N5 — CID 71027447

IUPAC3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
SMILESN#Cc1nc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C31H17N5/c32-18-24-30(35-26-13-5-1-9-20(26)21-10-2-6-14-27(21)35)17-31(25(19-33)34-24)36-28-15-7-3-11-22(28)23-12-4-8-16-29(23)36/h1-17H
InChIKeyLZOVVWBEEFIGJB-UHFFFAOYSA-N
MW459.51 g/mol
LogP7.02
Rot. Bonds2

About 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile

3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile (PubChem CID 71027447) has the molecular formula C31H17N5 and a molecular weight of 459.51 g/mol. Its IUPAC name is 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile.

Molecular Properties

Compound Name3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
PubChem CID71027447
Molecular FormulaC31H17N5
Molecular Weight459.51 g/mol
Exact Mass459.15
IUPAC Name3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile
SMILESN#Cc1nc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C31H17N5/c32-18-24-30(35-26-13-5-1-9-20(26)21-10-2-6-14-27(21)35)17-31(25(19-33)34-24)36-28-15-7-3-11-22(28)23-12-4-8-16-29(23)36/h1-17H
InChIKeyLZOVVWBEEFIGJB-UHFFFAOYSA-N
XLogP7.02
TPSA70.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.51
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 122400298
4-carbazol-9-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413747
3,6-di(carbazol-9-yl)-2-[3,6-di(carbazol-9-yl)-2-cyanophenyl]benzonitrile
CID 129313217
4-carbazol-9-yl-6-[4-[9-(5-carbazol-9-yl-2,4-dicyanophenyl)carbazol-4-yl]carbazol-9-yl]benzene-1,3-dicarbonitrile
CID 132915570
2-carbazol-9-yl-4,5-dimethylbenzonitrile;ethane
CID 144984345
4-carbazol-9-yl-3-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]benzonitrile
CID 163238679
2,5-bis[3-(trideuteriomethyl)carbazol-9-yl]benzene-1,4-dicarbonitrile
CID 177070633
4,5-di(carbazol-9-yl)-2-nitrobenzonitrile
CID 134217290
14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,15,17,19,21(25),22-dodecaene-10,11-dicarbonitrile
CID 121386164
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-bis(benzo[a]carbazol-11-yl)benzene-1,2-dicarbonitrile
CID 121324505

Frequently Asked Questions

What is the IUPAC name of 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile?
The IUPAC name of 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile (CID 71027447) is 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile.
What is the SMILES notation for 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile?
The canonical SMILES for 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile is N#Cc1nc(C#N)c(-n2c3ccccc3c3ccccc32)cc1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile?
The InChIKey is LZOVVWBEEFIGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H17N5/c32-18-24-30(35-26-13-5-1-9-20(26)21-10-2-6-14-27(21)35)17-31(25(19-33)34-24)36-28-15-7-3-11-22(28)23-12-4-8-16-29(23)36/h1-17H.
What are the key properties of 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile?
3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile has a molecular weight of 459.51 g/mol, XLogP of 7.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-di(carbazol-9-yl)pyridine-2,6-dicarbonitrile is sourced from PubChem (CID 71027447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).