2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile

C28H20N4 — CID 146653910

IUPAC2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ncc(C#N)cc3C#N)cc2)c2ccccc21
InChIInChI=1S/C28H20N4/c1-28(2)23-7-3-5-9-25(23)32(26-10-6-4-8-24(26)28)22-13-11-20(12-14-22)27-21(17-30)15-19(16-29)18-31-27/h3-15,18H,1-2H3
InChIKeyDMNDWWJDWXRJTB-UHFFFAOYSA-N
MW412.50 g/mol
LogP6.60
Rot. Bonds2

About 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile

2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile (PubChem CID 146653910) has the molecular formula C28H20N4 and a molecular weight of 412.50 g/mol. Its IUPAC name is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
PubChem CID146653910
Molecular FormulaC28H20N4
Molecular Weight412.50 g/mol
Exact Mass412.17
IUPAC Name2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ncc(C#N)cc3C#N)cc2)c2ccccc21
InChIInChI=1S/C28H20N4/c1-28(2)23-7-3-5-9-25(23)32(26-10-6-4-8-24(26)28)22-13-11-20(12-14-22)27-21(17-30)15-19(16-29)18-31-27/h3-15,18H,1-2H3
InChIKeyDMNDWWJDWXRJTB-UHFFFAOYSA-N
XLogP6.60
TPSA63.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.50
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[7-(9,9-dimethylacridin-10-yl)-9,9-dimethyl-10-phenylacridin-2-yl]benzene-1,3-dicarbonitrile
CID 134579025
4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-2,5-diphenylphenyl]benzonitrile
CID 155298681
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
2-(2-spiro[acridine-9,9'-fluorene]-10-ylphenyl)pyridine-3,5-dicarbonitrile
CID 146653884
10-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-dimethylacridine
CID 155244755
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528442
9,9-dimethyl-10-[4-[2,6,7-tris(4-phenylphenyl)pyrazino[2,3-b]pyrazin-3-yl]phenyl]acridine
CID 129037640
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 118528441
2-[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]pyridine-4-carbonitrile
CID 146542724
6,11-bis(9,9-dimethylacridin-10-yl)-3-fluorotriphenylene-2-carbonitrile
CID 121477980
6-[4-(9,9-diphenylacridin-10-yl)phenyl]-5-isocyanopyridine-3-carbonitrile;5-isocyano-6-(4-phenoxazin-10-ylphenyl)pyridine-3-carbonitrile;5-isocyano-6-(4-spiro[acridine-9,9'-xanthene]-10-ylphenyl)pyridine-3-carbonitrile
CID 157298075
14'-(9,9-dimethylacridin-10-yl)-9,9-dimethylspiro[anthracene-10,2'-tricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene]-5',6'-dicarbonitrile
CID 139374823

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile (CID 146653910) is 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile is CC1(C)c2ccccc2N(c2ccc(-c3ncc(C#N)cc3C#N)cc2)c2ccccc21.
What is the InChIKey of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile?
The InChIKey is DMNDWWJDWXRJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4/c1-28(2)23-7-3-5-9-25(23)32(26-10-6-4-8-24(26)28)22-13-11-20(12-14-22)27-21(17-30)15-19(16-29)18-31-27/h3-15,18H,1-2H3.
What are the key properties of 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile?
2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile has a molecular weight of 412.50 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9,9-dimethylacridin-10-yl)phenyl]pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 146653910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).