9-benzhydrylacridine

C26H19N — CID 71328841

IUPAC9-benzhydrylacridine
SMILESc1ccc(C(c2ccccc2)c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C26H19N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)26-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26/h1-18,25H
InChIKeyPTVOYJMVKBIUDR-UHFFFAOYSA-N
MW345.45 g/mol
LogP6.57
Rot. Bonds3

About 9-benzhydrylacridine

9-benzhydrylacridine (PubChem CID 71328841) has the molecular formula C26H19N and a molecular weight of 345.45 g/mol. Its IUPAC name is 9-benzhydrylacridine.

Molecular Properties

Compound Name9-benzhydrylacridine
PubChem CID71328841
Molecular FormulaC26H19N
Molecular Weight345.45 g/mol
Exact Mass345.15
IUPAC Name9-benzhydrylacridine
SMILESc1ccc(C(c2ccccc2)c2c3ccccc3nc3ccccc23)cc1
InChIInChI=1S/C26H19N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)26-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26/h1-18,25H
InChIKeyPTVOYJMVKBIUDR-UHFFFAOYSA-N
XLogP6.57
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.45
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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Frequently Asked Questions

What is the IUPAC name of 9-benzhydrylacridine?
The IUPAC name of 9-benzhydrylacridine (CID 71328841) is 9-benzhydrylacridine.
What is the SMILES notation for 9-benzhydrylacridine?
The canonical SMILES for 9-benzhydrylacridine is c1ccc(C(c2ccccc2)c2c3ccccc3nc3ccccc23)cc1.
What is the InChIKey of 9-benzhydrylacridine?
The InChIKey is PTVOYJMVKBIUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N/c1-3-11-19(12-4-1)25(20-13-5-2-6-14-20)26-21-15-7-9-17-23(21)27-24-18-10-8-16-22(24)26/h1-18,25H.
What are the key properties of 9-benzhydrylacridine?
9-benzhydrylacridine has a molecular weight of 345.45 g/mol, XLogP of 6.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzhydrylacridine is sourced from PubChem (CID 71328841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).