4-(9,10-dimethylacridin-9-yl)benzonitrile

C22H18N2 — CID 171393472

IUPAC4-(9,10-dimethylacridin-9-yl)benzonitrile
SMILESCN1c2ccccc2C(C)(c2ccc(C#N)cc2)c2ccccc21
InChIInChI=1S/C22H18N2/c1-22(17-13-11-16(15-23)12-14-17)18-7-3-5-9-20(18)24(2)21-10-6-4-8-19(21)22/h3-14H,1-2H3
InChIKeyDLEBZXMURAVXKK-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.99
Rot. Bonds1

About 4-(9,10-dimethylacridin-9-yl)benzonitrile

4-(9,10-dimethylacridin-9-yl)benzonitrile (PubChem CID 171393472) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(9,10-dimethylacridin-9-yl)benzonitrile.

Molecular Properties

Compound Name4-(9,10-dimethylacridin-9-yl)benzonitrile
PubChem CID171393472
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name4-(9,10-dimethylacridin-9-yl)benzonitrile
SMILESCN1c2ccccc2C(C)(c2ccc(C#N)cc2)c2ccccc21
InChIInChI=1S/C22H18N2/c1-22(17-13-11-16(15-23)12-14-17)18-7-3-5-9-20(18)24(2)21-10-6-4-8-19(21)22/h3-14H,1-2H3
InChIKeyDLEBZXMURAVXKK-UHFFFAOYSA-N
XLogP4.99
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(9,10-dimethylacridin-9-yl)benzonitrile?
The IUPAC name of 4-(9,10-dimethylacridin-9-yl)benzonitrile (CID 171393472) is 4-(9,10-dimethylacridin-9-yl)benzonitrile.
What is the SMILES notation for 4-(9,10-dimethylacridin-9-yl)benzonitrile?
The canonical SMILES for 4-(9,10-dimethylacridin-9-yl)benzonitrile is CN1c2ccccc2C(C)(c2ccc(C#N)cc2)c2ccccc21.
What is the InChIKey of 4-(9,10-dimethylacridin-9-yl)benzonitrile?
The InChIKey is DLEBZXMURAVXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-22(17-13-11-16(15-23)12-14-17)18-7-3-5-9-20(18)24(2)21-10-6-4-8-19(21)22/h3-14H,1-2H3.
What are the key properties of 4-(9,10-dimethylacridin-9-yl)benzonitrile?
4-(9,10-dimethylacridin-9-yl)benzonitrile has a molecular weight of 310.40 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9,10-dimethylacridin-9-yl)benzonitrile is sourced from PubChem (CID 171393472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).