(2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile

C26H18Cl2N2 — CID 2459798

IUPAC(2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile
SMILESN#C[C@@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1
InChIInChI=1S/C26H18Cl2N2/c27-18-10-11-23-20(14-18)25(19-8-4-5-9-22(19)28)21-15-26(16-29,13-12-24(21)30-23)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2/t26-/m1/s1
InChIKeyVYDHBACIMLOFSS-AREMUKBSSA-N
MW429.35 g/mol
LogP7.16
Rot. Bonds2

About (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile

(2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile (PubChem CID 2459798) has the molecular formula C26H18Cl2N2 and a molecular weight of 429.35 g/mol. Its IUPAC name is (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile
PubChem CID2459798
Molecular FormulaC26H18Cl2N2
Molecular Weight429.35 g/mol
Exact Mass428.08
IUPAC Name(2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile
SMILESN#C[C@@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1
InChIInChI=1S/C26H18Cl2N2/c27-18-10-11-23-20(14-18)25(19-8-4-5-9-22(19)28)21-15-26(16-29,13-12-24(21)30-23)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2/t26-/m1/s1
InChIKeyVYDHBACIMLOFSS-AREMUKBSSA-N
XLogP7.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile?
The IUPAC name of (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile (CID 2459798) is (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile.
What is the SMILES notation for (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile?
The canonical SMILES for (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile is N#C[C@@]1(c2ccccc2)CCc2nc3ccc(Cl)cc3c(-c3ccccc3Cl)c2C1.
What is the InChIKey of (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile?
The InChIKey is VYDHBACIMLOFSS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H18Cl2N2/c27-18-10-11-23-20(14-18)25(19-8-4-5-9-22(19)28)21-15-26(16-29,13-12-24(21)30-23)17-6-2-1-3-7-17/h1-11,14H,12-13,15H2/t26-/m1/s1.
What are the key properties of (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile?
(2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile has a molecular weight of 429.35 g/mol, XLogP of 7.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-7-chloro-9-(2-chlorophenyl)-2-phenyl-3,4-dihydro-1H-acridine-2-carbonitrile is sourced from PubChem (CID 2459798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).