2,4-dibenzylacridine

C27H21N — CID 175268158

IUPAC2,4-dibenzylacridine
SMILESc1ccc(Cc2cc(Cc3ccccc3)c3nc4ccccc4cc3c2)cc1
InChIInChI=1S/C27H21N/c1-3-9-20(10-4-1)15-22-17-24(16-21-11-5-2-6-12-21)27-25(18-22)19-23-13-7-8-14-26(23)28-27/h1-14,17-19H,15-16H2
InChIKeyJWCWIPATYLNCHF-UHFFFAOYSA-N
MW359.47 g/mol
LogP6.57
Rot. Bonds4

About 2,4-dibenzylacridine

2,4-dibenzylacridine (PubChem CID 175268158) has the molecular formula C27H21N and a molecular weight of 359.47 g/mol. Its IUPAC name is 2,4-dibenzylacridine.

Molecular Properties

Compound Name2,4-dibenzylacridine
PubChem CID175268158
Molecular FormulaC27H21N
Molecular Weight359.47 g/mol
Exact Mass359.17
IUPAC Name2,4-dibenzylacridine
SMILESc1ccc(Cc2cc(Cc3ccccc3)c3nc4ccccc4cc3c2)cc1
InChIInChI=1S/C27H21N/c1-3-9-20(10-4-1)15-22-17-24(16-21-11-5-2-6-12-21)27-25(18-22)19-23-13-7-8-14-26(23)28-27/h1-14,17-19H,15-16H2
InChIKeyJWCWIPATYLNCHF-UHFFFAOYSA-N
XLogP6.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

3-benzylquinoline-2-thiolate
CID 7383405
3-benzyl-2-chloroquinoline
CID 14001237
4-benzylacridine;1-(2-phenylpropan-2-yl)acridine
CID 175451536
2-(hydroxymethyl)acridin-4-ol
CID 78318520
acridine
CID 21226281
4-propylacridine
CID 609894
acridine;argon
CID 157415582
acridine;iron
CID 158030240
acridine;sulfane
CID 159134653
acridine;dihydrate
CID 172843020
acridine;methane
CID 21324126
2-benzylnaphthalene
CID 11948

Frequently Asked Questions

What is the IUPAC name of 2,4-dibenzylacridine?
The IUPAC name of 2,4-dibenzylacridine (CID 175268158) is 2,4-dibenzylacridine.
What is the SMILES notation for 2,4-dibenzylacridine?
The canonical SMILES for 2,4-dibenzylacridine is c1ccc(Cc2cc(Cc3ccccc3)c3nc4ccccc4cc3c2)cc1.
What is the InChIKey of 2,4-dibenzylacridine?
The InChIKey is JWCWIPATYLNCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N/c1-3-9-20(10-4-1)15-22-17-24(16-21-11-5-2-6-12-21)27-25(18-22)19-23-13-7-8-14-26(23)28-27/h1-14,17-19H,15-16H2.
What are the key properties of 2,4-dibenzylacridine?
2,4-dibenzylacridine has a molecular weight of 359.47 g/mol, XLogP of 6.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibenzylacridine is sourced from PubChem (CID 175268158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).