2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine

C34H24N2 — CID 15866471

IUPAC2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine
SMILESCc1ccc2nc3ccccc3c(-c3ccc(-c4c5ccccc5nc5ccc(C)cc45)cc3)c2c1
InChIInChI=1S/C34H24N2/c1-21-11-17-31-27(19-21)33(25-7-3-5-9-29(25)35-31)23-13-15-24(16-14-23)34-26-8-4-6-10-30(26)36-32-18-12-22(2)20-28(32)34/h3-20H,1-2H3
InChIKeyQFNBUXOOJKHMQZ-UHFFFAOYSA-N
MW460.58 g/mol
LogP9.04
Rot. Bonds2

About 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine

2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine (PubChem CID 15866471) has the molecular formula C34H24N2 and a molecular weight of 460.58 g/mol. Its IUPAC name is 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine.

Molecular Properties

Compound Name2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine
PubChem CID15866471
Molecular FormulaC34H24N2
Molecular Weight460.58 g/mol
Exact Mass460.19
IUPAC Name2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine
SMILESCc1ccc2nc3ccccc3c(-c3ccc(-c4c5ccccc5nc5ccc(C)cc45)cc3)c2c1
InChIInChI=1S/C34H24N2/c1-21-11-17-31-27(19-21)33(25-7-3-5-9-29(25)35-31)23-13-15-24(16-14-23)34-26-8-4-6-10-30(26)36-32-18-12-22(2)20-28(32)34/h3-20H,1-2H3
InChIKeyQFNBUXOOJKHMQZ-UHFFFAOYSA-N
XLogP9.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 59.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine?
The IUPAC name of 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine (CID 15866471) is 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine.
What is the SMILES notation for 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine?
The canonical SMILES for 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine is Cc1ccc2nc3ccccc3c(-c3ccc(-c4c5ccccc5nc5ccc(C)cc45)cc3)c2c1.
What is the InChIKey of 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine?
The InChIKey is QFNBUXOOJKHMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2/c1-21-11-17-31-27(19-21)33(25-7-3-5-9-29(25)35-31)23-13-15-24(16-14-23)34-26-8-4-6-10-30(26)36-32-18-12-22(2)20-28(32)34/h3-20H,1-2H3.
What are the key properties of 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine?
2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine has a molecular weight of 460.58 g/mol, XLogP of 9.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-[4-(2-methylacridin-9-yl)phenyl]acridine is sourced from PubChem (CID 15866471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).