3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one

C34H25NO2 — CID 121337022

IUPAC3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2)c2ccccc21
InChIInChI=1S/C34H25NO2/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)23-17-20-26-32(21-23)37-31-14-8-3-9-25(31)33(26)36/h3-21H,1-2H3
InChIKeyJMEJIBMVWJWHKT-UHFFFAOYSA-N
MW479.58 g/mol
LogP8.72
Rot. Bonds2

About 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one

3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one (PubChem CID 121337022) has the molecular formula C34H25NO2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one.

Molecular Properties

Compound Name3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one
PubChem CID121337022
Molecular FormulaC34H25NO2
Molecular Weight479.58 g/mol
Exact Mass479.19
IUPAC Name3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one
SMILESCC1(C)c2ccccc2N(c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2)c2ccccc21
InChIInChI=1S/C34H25NO2/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)23-17-20-26-32(21-23)37-31-14-8-3-9-25(31)33(26)36/h3-21H,1-2H3
InChIKeyJMEJIBMVWJWHKT-UHFFFAOYSA-N
XLogP8.72
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 58.72
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

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4H-1-Benzopyran-4-one, 3-((1-ethyl-1,2,3,4-tetrahydro-6-quinolinyl)methylene)-2,3-dihydro-
CID 6441861
2-[4-(4-Methylpiperazin-1-yl)phenyl]benzo[h]chromen-4-one
CID 155534507
3-((1-Ethyl-1,2,3,4-tetrahydroquinolin-6-yl)methylene)chroman-4-one
CID 102438139
3-(4-Tert-butylphenyl)-7-methyl-1,3-benzoxazine-2,4-dione
CID 52942874
1'-[[4-(dimethylamino)phenyl]methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 134793803
3-(9,9-Dimethylacridin-10(9H)-yl)-9H-xanthen-9-one
CID 73652136
2-Dibenzofuran-2-yl-10-(2-fluoro-4-phenylphenyl)-9,9-dimethyl-7-phenylacridine
CID 71003822
2-Dibenzofuran-2-yl-10-[4-(4-fluorophenyl)phenyl]-9,9-dimethyl-7-phenylacridine
CID 71003823
2-Dibenzofuran-2-yl-7-fluoro-9,9-dimethyl-10-(4-phenylphenyl)acridine
CID 71003835
2-Dibenzofuran-2-yl-7-(4-fluorophenyl)-9,9-dimethyl-10-(2-methyl-4-phenylphenyl)acridine
CID 71003945

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one?
The IUPAC name of 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one (CID 121337022) is 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one.
What is the SMILES notation for 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one?
The canonical SMILES for 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one is CC1(C)c2ccccc2N(c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2)c2ccccc21.
What is the InChIKey of 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one?
The InChIKey is JMEJIBMVWJWHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NO2/c1-34(2)27-10-4-6-12-29(27)35(30-13-7-5-11-28(30)34)24-18-15-22(16-19-24)23-17-20-26-32(21-23)37-31-14-8-3-9-25(31)33(26)36/h3-21H,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one?
3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one has a molecular weight of 479.58 g/mol, XLogP of 8.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylacridin-10-yl)phenyl]xanthen-9-one is sourced from PubChem (CID 121337022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).