2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine

C34H24N2O2 — CID 100954301

IUPAC2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine
SMILESCOc1ccc2nc3ccccc3c(-c3ccc(-c4c5ccccc5nc5ccc(OC)cc45)cc3)c2c1
InChIInChI=1S/C34H24N2O2/c1-37-23-15-17-31-27(19-23)33(25-7-3-5-9-29(25)35-31)21-11-13-22(14-12-21)34-26-8-4-6-10-30(26)36-32-18-16-24(38-2)20-28(32)34/h3-20H,1-2H3
InChIKeyUCNGYTSWLSFPHF-UHFFFAOYSA-N
MW492.58 g/mol
LogP8.44
Rot. Bonds4

About 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine

2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine (PubChem CID 100954301) has the molecular formula C34H24N2O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine.

Molecular Properties

Compound Name2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine
PubChem CID100954301
Molecular FormulaC34H24N2O2
Molecular Weight492.58 g/mol
Exact Mass492.18
IUPAC Name2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine
SMILESCOc1ccc2nc3ccccc3c(-c3ccc(-c4c5ccccc5nc5ccc(OC)cc45)cc3)c2c1
InChIInChI=1S/C34H24N2O2/c1-37-23-15-17-31-27(19-23)33(25-7-3-5-9-29(25)35-31)21-11-13-22(14-12-21)34-26-8-4-6-10-30(26)36-32-18-16-24(38-2)20-28(32)34/h3-20H,1-2H3
InChIKeyUCNGYTSWLSFPHF-UHFFFAOYSA-N
XLogP8.44
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine?
The IUPAC name of 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine (CID 100954301) is 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine.
What is the SMILES notation for 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine?
The canonical SMILES for 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine is COc1ccc2nc3ccccc3c(-c3ccc(-c4c5ccccc5nc5ccc(OC)cc45)cc3)c2c1.
What is the InChIKey of 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine?
The InChIKey is UCNGYTSWLSFPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H24N2O2/c1-37-23-15-17-31-27(19-23)33(25-7-3-5-9-29(25)35-31)21-11-13-22(14-12-21)34-26-8-4-6-10-30(26)36-32-18-16-24(38-2)20-28(32)34/h3-20H,1-2H3.
What are the key properties of 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine?
2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine has a molecular weight of 492.58 g/mol, XLogP of 8.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-9-[4-(2-methoxyacridin-9-yl)phenyl]acridine is sourced from PubChem (CID 100954301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).