3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one

C58H39N3O2 — CID 142288428

IUPAC3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one
SMILESCC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2N(c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2)c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C58H39N3O2/c1-58(2)47-31-28-39(60-49-18-8-3-13-41(49)42-14-4-9-19-50(42)60)34-53(47)59(54-35-40(29-32-48(54)58)61-51-20-10-5-15-43(51)44-16-6-11-21-52(44)61)38-26-23-36(24-27-38)37-25-30-46-56(33-37)63-55-22-12-7-17-45(55)57(46)62/h3-35H,1-2H3
InChIKeySFQNMIARIJZUDQ-UHFFFAOYSA-N
MW809.97 g/mol
LogP14.92
Rot. Bonds4

About 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one

3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one (PubChem CID 142288428) has the molecular formula C58H39N3O2 and a molecular weight of 809.97 g/mol. Its IUPAC name is 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one.

Molecular Properties

Compound Name3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one
PubChem CID142288428
Molecular FormulaC58H39N3O2
Molecular Weight809.97 g/mol
Exact Mass809.30
IUPAC Name3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one
SMILESCC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2N(c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2)c2cc(-n3c4ccccc4c4ccccc43)ccc21
InChIInChI=1S/C58H39N3O2/c1-58(2)47-31-28-39(60-49-18-8-3-13-41(49)42-14-4-9-19-50(42)60)34-53(47)59(54-35-40(29-32-48(54)58)61-51-20-10-5-15-43(51)44-16-6-11-21-52(44)61)38-26-23-36(24-27-38)37-25-30-46-56(33-37)63-55-22-12-7-17-45(55)57(46)62/h3-35H,1-2H3
InChIKeySFQNMIARIJZUDQ-UHFFFAOYSA-N
XLogP14.92
TPSA43.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.97
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one 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

9-carbazol-9-yl-7,7,12,12-tetramethylnaphtho[2,3-b]xanthen-14-one
CID 164850101
3-[4-(2-carbazol-9-yl-7-phenylcarbazol-9-yl)phenyl]xanthen-9-one
CID 142288913
3-[9,9-dimethyl-7-(N-(9-phenylcarbazol-3-yl)anilino)fluoren-3-yl]xanthen-9-one
CID 142288906
3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
10-[4-(3-carbazol-9-ylphenyl)phenyl]-9,9-dimethylacridine
CID 169006724
3-[4-[3,6-di(carbazol-9-yl)spiro[acridine-9,9'-fluorene]-10-yl]phenyl]-10,10-dimethylanthracen-9-one
CID 142288083
9-[7-[7-[7-(7-carbazol-9-yldibenzofuran-3-yl)dibenzofuran-3-yl]dibenzofuran-3-yl]dibenzofuran-3-yl]carbazole
CID 90207091
3-[6-[bis(9,9-dimethylfluoren-2-yl)amino]-9-phenylcarbazol-3-yl]xanthen-9-one
CID 142288867
1-N-(4-carbazol-9-ylphenyl)-4-N,4-N-bis[4-(N-(4-carbazol-9-ylphenyl)-4-dibenzofuran-3-ylanilino)phenyl]-1-N-(4-dibenzofuran-3-ylphenyl)benzene-1,4-diamine
CID 88590509
3-[4-(9-dibenzofuran-3-ylcarbazol-3-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 146187490
3-dibenzofuran-3-yl-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 129065102
7-[4-(13,13-dimethyl-8-phenylindolo[3,2-a]acridin-5-yl)phenyl]-2,3-dimethylxanthen-9-one
CID 146176029

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one?
The IUPAC name of 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one (CID 142288428) is 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one.
What is the SMILES notation for 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one?
The canonical SMILES for 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one is CC1(C)c2ccc(-n3c4ccccc4c4ccccc43)cc2N(c2ccc(-c3ccc4c(=O)c5ccccc5oc4c3)cc2)c2cc(-n3c4ccccc4c4ccccc43)ccc21.
What is the InChIKey of 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one?
The InChIKey is SFQNMIARIJZUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H39N3O2/c1-58(2)47-31-28-39(60-49-18-8-3-13-41(49)42-14-4-9-19-50(42)60)34-53(47)59(54-35-40(29-32-48(54)58)61-51-20-10-5-15-43(51)44-16-6-11-21-52(44)61)38-26-23-36(24-27-38)37-25-30-46-56(33-37)63-55-22-12-7-17-45(55)57(46)62/h3-35H,1-2H3.
What are the key properties of 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one?
3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one has a molecular weight of 809.97 g/mol, XLogP of 14.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3,6-di(carbazol-9-yl)-9,9-dimethylacridin-10-yl]phenyl]xanthen-9-one is sourced from PubChem (CID 142288428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).