2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile

C26H20N2 — CID 4832706

IUPAC2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile
SMILESN#CC1(c2ccccc2)CCc2nc3ccccc3c(-c3ccccc3)c2C1
InChIInChI=1S/C26H20N2/c27-18-26(20-11-5-2-6-12-20)16-15-24-22(17-26)25(19-9-3-1-4-10-19)21-13-7-8-14-23(21)28-24/h1-14H,15-17H2
InChIKeyASSSEQNBKDMYNC-UHFFFAOYSA-N
MW360.46 g/mol
LogP5.85
Rot. Bonds2

About 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile

2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile (PubChem CID 4832706) has the molecular formula C26H20N2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile.

Molecular Properties

Compound Name2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile
PubChem CID4832706
Molecular FormulaC26H20N2
Molecular Weight360.46 g/mol
Exact Mass360.16
IUPAC Name2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile
SMILESN#CC1(c2ccccc2)CCc2nc3ccccc3c(-c3ccccc3)c2C1
InChIInChI=1S/C26H20N2/c27-18-26(20-11-5-2-6-12-20)16-15-24-22(17-26)25(19-9-3-1-4-10-19)21-13-7-8-14-23(21)28-24/h1-14H,15-17H2
InChIKeyASSSEQNBKDMYNC-UHFFFAOYSA-N
XLogP5.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.46
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile?
The IUPAC name of 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile (CID 4832706) is 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile.
What is the SMILES notation for 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile?
The canonical SMILES for 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile is N#CC1(c2ccccc2)CCc2nc3ccccc3c(-c3ccccc3)c2C1.
What is the InChIKey of 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile?
The InChIKey is ASSSEQNBKDMYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2/c27-18-26(20-11-5-2-6-12-20)16-15-24-22(17-26)25(19-9-3-1-4-10-19)21-13-7-8-14-23(21)28-24/h1-14H,15-17H2.
What are the key properties of 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile?
2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile has a molecular weight of 360.46 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-diphenyl-3,4-dihydro-1H-acridine-2-carbonitrile is sourced from PubChem (CID 4832706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).