1,3-diphenylacridine

C25H17N — CID 139708395

IUPAC1,3-diphenylacridine
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4nc3c2)cc1
InChIInChI=1S/C25H17N/c1-3-9-18(10-4-1)21-16-22(19-11-5-2-6-12-19)23-15-20-13-7-8-14-24(20)26-25(23)17-21/h1-17H
InChIKeyPKHCGKCSPDSZJG-UHFFFAOYSA-N
MW331.42 g/mol
LogP6.72
Rot. Bonds2

About 1,3-diphenylacridine

1,3-diphenylacridine (PubChem CID 139708395) has the molecular formula C25H17N and a molecular weight of 331.42 g/mol. Its IUPAC name is 1,3-diphenylacridine.

Molecular Properties

Compound Name1,3-diphenylacridine
PubChem CID139708395
Molecular FormulaC25H17N
Molecular Weight331.42 g/mol
Exact Mass331.14
IUPAC Name1,3-diphenylacridine
SMILESc1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4nc3c2)cc1
InChIInChI=1S/C25H17N/c1-3-9-18(10-4-1)21-16-22(19-11-5-2-6-12-19)23-15-20-13-7-8-14-24(20)26-25(23)17-21/h1-17H
InChIKeyPKHCGKCSPDSZJG-UHFFFAOYSA-N
XLogP6.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.42
LogP ≤ 56.72
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

2,5,7-triphenylquinoline
CID 91559577
1-naphthalen-2-ylacridine
CID 91364116
1,1'-biphenyl;1,2-dimethylacridine
CID 175084711
10-phenyl-5,20-diazaheptacyclo[16.12.0.03,16.04,13.06,11.019,28.021,26]triaconta-1(18),2,4,6,8,10,12,14,16,19,21,23,25,27,29-pentadecaene
CID 141282309
acridine
CID 21226281
1,3-diphenylphenanthrene
CID 13011098
3-phenylquinolin-2-amine;hydrochloride
CID 43865994
1-phenylacridin-2-amine
CID 87481080
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;dihydrate
CID 172843020
acridine;methane
CID 21324126

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylacridine?
The IUPAC name of 1,3-diphenylacridine (CID 139708395) is 1,3-diphenylacridine.
What is the SMILES notation for 1,3-diphenylacridine?
The canonical SMILES for 1,3-diphenylacridine is c1ccc(-c2cc(-c3ccccc3)c3cc4ccccc4nc3c2)cc1.
What is the InChIKey of 1,3-diphenylacridine?
The InChIKey is PKHCGKCSPDSZJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N/c1-3-9-18(10-4-1)21-16-22(19-11-5-2-6-12-19)23-15-20-13-7-8-14-24(20)26-25(23)17-21/h1-17H.
What are the key properties of 1,3-diphenylacridine?
1,3-diphenylacridine has a molecular weight of 331.42 g/mol, XLogP of 6.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylacridine is sourced from PubChem (CID 139708395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).