3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione

C37H27NO4 — CID 164765311

IUPAC3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
SMILESCc1c2oc3ccccc3c(=O)c2c(C)c2c(=O)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3oc12
InChIInChI=1S/C37H27NO4/c1-20-31-33(39)23-11-5-10-16-29(23)41-35(31)21(2)36-32(20)34(40)24-18-17-22(19-30(24)42-36)38-27-14-8-6-12-25(27)37(3,4)26-13-7-9-15-28(26)38/h5-19H,1-4H3
InChIKeyBFVNWFMARNDCMA-UHFFFAOYSA-N
MW549.63 g/mol
LogP8.93
Rot. Bonds1

About 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione

3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione (PubChem CID 164765311) has the molecular formula C37H27NO4 and a molecular weight of 549.63 g/mol. Its IUPAC name is 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione.

Molecular Properties

Compound Name3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
PubChem CID164765311
Molecular FormulaC37H27NO4
Molecular Weight549.63 g/mol
Exact Mass549.19
IUPAC Name3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
SMILESCc1c2oc3ccccc3c(=O)c2c(C)c2c(=O)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3oc12
InChIInChI=1S/C37H27NO4/c1-20-31-33(39)23-11-5-10-16-29(23)41-35(31)21(2)36-32(20)34(40)24-18-17-22(19-30(24)42-36)38-27-14-8-6-12-25(27)37(3,4)26-13-7-9-15-28(26)38/h5-19H,1-4H3
InChIKeyBFVNWFMARNDCMA-UHFFFAOYSA-N
XLogP8.93
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.63
LogP ≤ 58.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
3-[5-(9,9-dimethylacridin-10-yl)-2-methylphenoxy]-1,4-dimethyl-9-oxoxanthene-2-carbaldehyde
CID 167054645
3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
CID 121337021
10-[8-(9,9-dimethylacridin-10-yl)-15,16-dimethyl-13,28-dioxaheptacyclo[15.11.0.02,14.03,12.05,10.018,27.020,25]octacosa-1(17),2(14),3(12),4,6,8,10,15,18(27),19,21,23,25-tridecaen-23-yl]-9,9-dimethylacridine
CID 149218096
3-(dimethylamino)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765204
14-dibenzofuran-3-yl-10,10,21,21-tetramethyl-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 144670341
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039
N,N-bis[4-[3-(9,9-dimethylacridin-10-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 122425331
3-(13,13-dimethyl-[1]benzothiolo[3,2-a]acridin-8-yl)-6-phenylxanthen-9-one
CID 146175903
10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(9,9-dimethylacridin-10-yl)xanthen-9-one;5-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]-10-phenylphenazine;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
CID 159708858
14-[9,10-diphenyl-6-(2,7,9,9-tetramethylacridin-10-yl)anthracen-2-yl]-21,21-dimethyl-10-oxa-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 146213328
3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one
CID 142288428

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione?
The IUPAC name of 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione (CID 164765311) is 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione.
What is the SMILES notation for 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione?
The canonical SMILES for 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione is Cc1c2oc3ccccc3c(=O)c2c(C)c2c(=O)c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3oc12.
What is the InChIKey of 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione?
The InChIKey is BFVNWFMARNDCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H27NO4/c1-20-31-33(39)23-11-5-10-16-29(23)41-35(31)21(2)36-32(20)34(40)24-18-17-22(19-30(24)42-36)38-27-14-8-6-12-25(27)37(3,4)26-13-7-9-15-28(26)38/h5-19H,1-4H3.
What are the key properties of 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione?
3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione has a molecular weight of 549.63 g/mol, XLogP of 8.93, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione is sourced from PubChem (CID 164765311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).