2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine

C37H33NO2 — CID 150367286

IUPAC2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine
SMILESCCOC(c1ccccc1)c1ccc2nc3ccc(C(OCC)c4ccccc4)cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C37H33NO2/c1-3-39-36(27-16-10-6-11-17-27)29-20-22-33-31(24-29)35(26-14-8-5-9-15-26)32-25-30(21-23-34(32)38-33)37(40-4-2)28-18-12-7-13-19-28/h5-25,36-37H,3-4H2,1-2H3
InChIKeyGWZBQIHBJVQXDK-UHFFFAOYSA-N
MW523.68 g/mol
LogP9.31
Rot. Bonds9

About 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine

2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine (PubChem CID 150367286) has the molecular formula C37H33NO2 and a molecular weight of 523.68 g/mol. Its IUPAC name is 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine.

Molecular Properties

Compound Name2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine
PubChem CID150367286
Molecular FormulaC37H33NO2
Molecular Weight523.68 g/mol
Exact Mass523.25
IUPAC Name2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine
SMILESCCOC(c1ccccc1)c1ccc2nc3ccc(C(OCC)c4ccccc4)cc3c(-c3ccccc3)c2c1
InChIInChI=1S/C37H33NO2/c1-3-39-36(27-16-10-6-11-17-27)29-20-22-33-31(24-29)35(26-14-8-5-9-15-26)32-25-30(21-23-34(32)38-33)37(40-4-2)28-18-12-7-13-19-28/h5-25,36-37H,3-4H2,1-2H3
InChIKeyGWZBQIHBJVQXDK-UHFFFAOYSA-N
XLogP9.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.68
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[ethoxy(phenyl)methyl]-4,6-dimethylpyrimidine
CID 10331991
4-[ethoxy(phenyl)methyl]benzoic acid
CID 22745121
2-(2-methylbutan-2-yloxy)-9-phenylacridine
CID 175443882
6-bromo-2-chloro-8-[ethoxy(phenyl)methyl]-4-phenylquinoline
CID 147902907
CID 56851104
CID 56851104
ethyl 4-(9-phenylacridin-2-yl)benzoate
CID 132505000
9-(4-ethoxyphenyl)acridine
CID 18966036
ethyl 2-[phenyl-(3-quinoxalin-6-ylphenyl)methoxy]acetate
CID 46196385
2-[ethoxy(phenyl)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116775770
[2-[ethoxy(phenyl)methyl]pyrimidin-4-yl]methanamine
CID 116778455
4-[ethoxy(phenyl)methyl]-1,3-thiazol-2-amine
CID 121010363
CID 56851103
CID 56851103

Frequently Asked Questions

What is the IUPAC name of 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine?
The IUPAC name of 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine (CID 150367286) is 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine.
What is the SMILES notation for 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine?
The canonical SMILES for 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine is CCOC(c1ccccc1)c1ccc2nc3ccc(C(OCC)c4ccccc4)cc3c(-c3ccccc3)c2c1.
What is the InChIKey of 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine?
The InChIKey is GWZBQIHBJVQXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33NO2/c1-3-39-36(27-16-10-6-11-17-27)29-20-22-33-31(24-29)35(26-14-8-5-9-15-26)32-25-30(21-23-34(32)38-33)37(40-4-2)28-18-12-7-13-19-28/h5-25,36-37H,3-4H2,1-2H3.
What are the key properties of 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine?
2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine has a molecular weight of 523.68 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[ethoxy(phenyl)methyl]-9-phenylacridine is sourced from PubChem (CID 150367286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).