4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile

C29H16N6 — CID 155332666

IUPAC4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)cc(C#N)n1
InChIInChI=1S/C29H16N6/c30-17-21-15-23(16-22(18-31)34-21)35-28-9-7-19(26-5-1-3-11-32-26)13-24(28)25-14-20(8-10-29(25)35)27-6-2-4-12-33-27/h1-16H
InChIKeyNNSVUUBZVLQZSO-UHFFFAOYSA-N
MW448.49 g/mol
LogP6.05
Rot. Bonds3

About 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile

4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile (PubChem CID 155332666) has the molecular formula C29H16N6 and a molecular weight of 448.49 g/mol. Its IUPAC name is 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile.

Molecular Properties

Compound Name4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile
PubChem CID155332666
Molecular FormulaC29H16N6
Molecular Weight448.49 g/mol
Exact Mass448.14
IUPAC Name4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile
SMILESN#Cc1cc(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)cc(C#N)n1
InChIInChI=1S/C29H16N6/c30-17-21-15-23(16-22(18-31)34-21)35-28-9-7-19(26-5-1-3-11-32-26)13-24(28)25-14-20(8-10-29(25)35)27-6-2-4-12-33-27/h1-16H
InChIKeyNNSVUUBZVLQZSO-UHFFFAOYSA-N
XLogP6.05
TPSA91.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.49
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-cyano-6-pyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile
CID 155332660
5,7-diphenyl-2,10-dipyridin-2-ylindolo[2,3-b]carbazole
CID 130417472
4-[6-[6-[6-(2-cyano-4-pyridinyl)-2-pyridinyl]-9-phenylcarbazol-3-yl]-2-pyridinyl]pyridine-2-carbonitrile
CID 118397715
9-[3-(4,6-diphenylpyrimidin-2-yl)-5-(3-pyridin-2-ylcarbazol-9-yl)phenyl]-3-pyridin-2-ylcarbazole
CID 151236642
5-carbazol-9-yl-4,6-bis(3-pyridin-2-ylcarbazol-9-yl)benzene-1,3-dicarbonitrile
CID 170010813
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole
CID 71277989
9-phenyl-3-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 153423283
3-(9-phenylcarbazol-3-yl)-9-(4-pyridin-2-ylphenyl)carbazole
CID 118967167
9-(3-carbazol-9-ylphenyl)-3-(3-pyridin-2-ylphenyl)carbazole;ethane
CID 144541414
9-phenyl-3-(2-phenyl-6-pyridin-2-ylpyrimidin-4-yl)carbazole
CID 67952723
2-(9-dibenzofuran-2-yl-6-pyridin-2-ylcarbazol-3-yl)benzene-1,3-dicarbonitrile
CID 155357773
3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]-2,4,5,6-tetrapyridin-2-ylbenzonitrile
CID 140966629

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile?
The IUPAC name of 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile (CID 155332666) is 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile.
What is the SMILES notation for 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile?
The canonical SMILES for 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile is N#Cc1cc(-n2c3ccc(-c4ccccn4)cc3c3cc(-c4ccccn4)ccc32)cc(C#N)n1.
What is the InChIKey of 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile?
The InChIKey is NNSVUUBZVLQZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H16N6/c30-17-21-15-23(16-22(18-31)34-21)35-28-9-7-19(26-5-1-3-11-32-26)13-24(28)25-14-20(8-10-29(25)35)27-6-2-4-12-33-27/h1-16H.
What are the key properties of 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile?
4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile has a molecular weight of 448.49 g/mol, XLogP of 6.05, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dipyridin-2-ylcarbazol-9-yl)pyridine-2,6-dicarbonitrile is sourced from PubChem (CID 155332666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).