2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile

C23H17N3 — CID 145009819

IUPAC2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2c(C#N)cccc2C#N)c2ccccc21
InChIInChI=1S/C23H17N3/c1-23(2)18-10-3-5-12-20(18)26(21-13-6-4-11-19(21)23)22-16(14-24)8-7-9-17(22)15-25/h3-13H,1-2H3
InChIKeyWWUXQRJPCINQNU-UHFFFAOYSA-N
MW335.41 g/mol
LogP5.54
Rot. Bonds1

About 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile

2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile (PubChem CID 145009819) has the molecular formula C23H17N3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
PubChem CID145009819
Molecular FormulaC23H17N3
Molecular Weight335.41 g/mol
Exact Mass335.14
IUPAC Name2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile
SMILESCC1(C)c2ccccc2N(c2c(C#N)cccc2C#N)c2ccccc21
InChIInChI=1S/C23H17N3/c1-23(2)18-10-3-5-12-20(18)26(21-13-6-4-11-19(21)23)22-16(14-24)8-7-9-17(22)15-25/h3-13H,1-2H3
InChIKeyWWUXQRJPCINQNU-UHFFFAOYSA-N
XLogP5.54
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.41
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxazin-10-ylbenzene-1,3-dicarbonitrile
CID 145009760
3-[3-cyano-2-(9,9-dimethylacridin-10-yl)phenyl]-2-[10-(2,6-dimethylphenyl)-1,9-dimethylboranthren-5-yl]benzonitrile
CID 155633289
10-[10-(9,9-dimethylacridin-10-yl)anthracen-9-yl]-9,9-dimethylacridine
CID 59399619
3-(9,9-dimethylacridin-10-yl)-5,6-di(propan-2-yl)benzene-1,2,4-tricarbonitrile
CID 122610017
2,4,6-tris(9,9-dimethylacridin-10-yl)-3,5-bis(trifluoromethyl)benzonitrile
CID 134183428
2-[2-(9,9-dimethylacridin-10-yl)dibenzofuran-1-yl]benzene-1,3-dicarbonitrile
CID 152826591
9,9-dimethylfluorene-4-carbonitrile
CID 67375715
14,14-dimethyl-8-phenyl-1,8-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 118443210
2-[4-(9,9-dimethylacridin-10-yl)phenyl]-5-methylbenzonitrile
CID 122435842
6,11-bis(9,9-dimethylacridin-10-yl)-3-fluorotriphenylene-2-carbonitrile
CID 121477980
8,8,14,14-tetramethyl-11-[4-[4-(8,8,14,14-tetramethyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)phenyl]phenyl]-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 90330276
8,8,14-trimethyl-14-phenyl-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,15,17,19-nonaene
CID 12555375

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile?
The IUPAC name of 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile (CID 145009819) is 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile.
What is the SMILES notation for 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile?
The canonical SMILES for 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile is CC1(C)c2ccccc2N(c2c(C#N)cccc2C#N)c2ccccc21.
What is the InChIKey of 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile?
The InChIKey is WWUXQRJPCINQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3/c1-23(2)18-10-3-5-12-20(18)26(21-13-6-4-11-19(21)23)22-16(14-24)8-7-9-17(22)15-25/h3-13H,1-2H3.
What are the key properties of 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile?
2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile has a molecular weight of 335.41 g/mol, XLogP of 5.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylacridin-10-yl)benzene-1,3-dicarbonitrile is sourced from PubChem (CID 145009819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).