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

C35H23NO4 — CID 164765363

IUPAC3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
SMILESCC1(C)c2ccccc2N(c2ccc3c(=O)c4cc5c(=O)c6ccccc6oc5cc4oc3c2)c2ccccc21
InChIInChI=1S/C35H23NO4/c1-35(2)25-10-4-6-12-27(25)36(28-13-7-5-11-26(28)35)20-15-16-22-30(17-20)40-32-19-31-23(18-24(32)34(22)38)33(37)21-9-3-8-14-29(21)39-31/h3-19H,1-2H3
InChIKeyACBSWCRSPSLZOG-UHFFFAOYSA-N
MW521.57 g/mol
LogP8.31
Rot. Bonds1

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

3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione (PubChem CID 164765363) has the molecular formula C35H23NO4 and a molecular weight of 521.57 g/mol. Its IUPAC name is 3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione.

Molecular Properties

Compound Name3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
PubChem CID164765363
Molecular FormulaC35H23NO4
Molecular Weight521.57 g/mol
Exact Mass521.16
IUPAC Name3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
SMILESCC1(C)c2ccccc2N(c2ccc3c(=O)c4cc5c(=O)c6ccccc6oc5cc4oc3c2)c2ccccc21
InChIInChI=1S/C35H23NO4/c1-35(2)25-10-4-6-12-27(25)36(28-13-7-5-11-26(28)35)20-15-16-22-30(17-20)40-32-19-31-23(18-24(32)34(22)38)33(37)21-9-3-8-14-29(21)39-31/h3-19H,1-2H3
InChIKeyACBSWCRSPSLZOG-UHFFFAOYSA-N
XLogP8.31
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.57
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765311
3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
CID 121337021
2-phenoxazin-10-ylchromeno[3,2-b]xanthene-12,14-dione
CID 164765277
3-spiro[acridine-9,9'-thioxanthene]-10-ylxanthen-9-one
CID 121337039
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-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one
CID 142288428
3-(13,13-dimethyl-[1]benzothiolo[3,2-a]acridin-8-yl)-6-phenylxanthen-9-one
CID 146175903
2-(10-dibenzofuran-2-yl-9,9-dimethylacridin-2-yl)-9,9-dimethyl-10-phenylacridine
CID 70936026
2-(14,14-dimethyl-8-oxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-3-yl)xanthen-9-one
CID 168812357
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
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
10-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]sulfonylphenyl]-9,9-dimethylacridine;3-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one;10-phenylspiro[acridine-9,10'-anthracene]-9'-one
CID 165012871

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione?
The IUPAC name of 3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione (CID 164765363) is 3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione.
What is the SMILES notation for 3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione?
The canonical SMILES for 3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione is CC1(C)c2ccccc2N(c2ccc3c(=O)c4cc5c(=O)c6ccccc6oc5cc4oc3c2)c2ccccc21.
What is the InChIKey of 3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione?
The InChIKey is ACBSWCRSPSLZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H23NO4/c1-35(2)25-10-4-6-12-27(25)36(28-13-7-5-11-26(28)35)20-15-16-22-30(17-20)40-32-19-31-23(18-24(32)34(22)38)33(37)21-9-3-8-14-29(21)39-31/h3-19H,1-2H3.
What are the key properties of 3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione?
3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione has a molecular weight of 521.57 g/mol, XLogP of 8.31, 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)chromeno[3,2-b]xanthene-12,14-dione is sourced from PubChem (CID 164765363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).