4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile

C24H26N2O2 — CID 102331556

IUPAC4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(C#N)cc1)C1=C(C2)C(=O)CC(C)(C)C1
InChIInChI=1S/C24H26N2O2/c1-23(2)10-19-17(21(27)12-23)9-18-20(11-24(3,4)13-22(18)28)26(19)16-7-5-15(14-25)6-8-16/h5-8H,9-13H2,1-4H3
InChIKeyZFVNCWVREABGGY-UHFFFAOYSA-N
MW374.48 g/mol
LogP5.05
Rot. Bonds1

About 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile

4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile (PubChem CID 102331556) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile.

Molecular Properties

Compound Name4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile
PubChem CID102331556
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile
SMILESCC1(C)CC(=O)C2=C(C1)N(c1ccc(C#N)cc1)C1=C(C2)C(=O)CC(C)(C)C1
InChIInChI=1S/C24H26N2O2/c1-23(2)10-19-17(21(27)12-23)9-18-20(11-24(3,4)13-22(18)28)26(19)16-7-5-15(14-25)6-8-16/h5-8H,9-13H2,1-4H3
InChIKeyZFVNCWVREABGGY-UHFFFAOYSA-N
XLogP5.05
TPSA61.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.48
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile?
The IUPAC name of 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile (CID 102331556) is 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile.
What is the SMILES notation for 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile?
The canonical SMILES for 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile is CC1(C)CC(=O)C2=C(C1)N(c1ccc(C#N)cc1)C1=C(C2)C(=O)CC(C)(C)C1.
What is the InChIKey of 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile?
The InChIKey is ZFVNCWVREABGGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-23(2)10-19-17(21(27)12-23)9-18-20(11-24(3,4)13-22(18)28)26(19)16-7-5-15(14-25)6-8-16/h5-8H,9-13H2,1-4H3.
What are the key properties of 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile?
4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile has a molecular weight of 374.48 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-acridin-10-yl)benzonitrile is sourced from PubChem (CID 102331556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).