3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one

C44H35NO2 — CID 121337021

IUPAC3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
SMILESCC1(C)c2ccccc2C(c2ccc3c(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4oc3c2)c2ccccc21
InChIInChI=1S/C44H35NO2/c1-43(2)33-15-7-5-13-29(33)41(30-14-6-8-16-34(30)43)27-21-23-31-39(25-27)47-40-26-28(22-24-32(40)42(31)46)45-37-19-11-9-17-35(37)44(3,4)36-18-10-12-20-38(36)45/h5-26,41H,1-4H3
InChIKeyPOCKGUOPPFXACK-UHFFFAOYSA-N
MW609.77 g/mol
LogP10.87
Rot. Bonds2

About 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one

3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one (PubChem CID 121337021) has the molecular formula C44H35NO2 and a molecular weight of 609.77 g/mol. Its IUPAC name is 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one.

Molecular Properties

Compound Name3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
PubChem CID121337021
Molecular FormulaC44H35NO2
Molecular Weight609.77 g/mol
Exact Mass609.27
IUPAC Name3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one
SMILESCC1(C)c2ccccc2C(c2ccc3c(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4oc3c2)c2ccccc21
InChIInChI=1S/C44H35NO2/c1-43(2)33-15-7-5-13-29(33)41(30-14-6-8-16-34(30)43)27-21-23-31-39(25-27)47-40-26-28(22-24-32(40)42(31)46)45-37-19-11-9-17-35(37)44(3,4)36-18-10-12-20-38(36)45/h5-26,41H,1-4H3
InChIKeyPOCKGUOPPFXACK-UHFFFAOYSA-N
XLogP10.87
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.77
LogP ≤ 510.87
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

3-(9,9-dimethylacridin-10-yl)chromeno[3,2-b]xanthene-12,14-dione
CID 164765363
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
3-(9,9-dimethylacridin-10-yl)-6,13-dimethylchromeno[3,2-b]xanthene-12,14-dione
CID 164765311
10-[7-[10,10-dimethyl-3-(N-phenylanilino)-9H-anthracen-9-yl]triphenylen-2-yl]-9,9-dimethyl-N,N-diphenylacridin-2-amine
CID 121475671
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-(13,13-dimethyl-[1]benzothiolo[3,2-a]acridin-8-yl)-6-phenylxanthen-9-one
CID 146175903
10-[4-[6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-4-phenyl-2-pyridinyl]phenyl]-9,9-dimethylacridine
CID 121380931
5,11,17-tris(9,9-dimethylacridin-10-yl)-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9,11,13(21),15(20),16,18-nonaene-8,14-dione
CID 171599918
10-[8-[2-[8-(9,9-dimethylacridin-10-yl)dibenzofuran-2-yl]phenyl]dibenzofuran-2-yl]-9,9-dimethylacridine
CID 90352239
10-[4-[4-[4-(9,9-dimethylacridin-10-yl)phenyl]-6-[4-(10,10-dimethyl-9H-anthracen-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine;9,9-dimethyl-10-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]acridine;10-[4-[4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9,9-dimethylacridine
CID 157103657
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-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one?
The IUPAC name of 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one (CID 121337021) is 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one.
What is the SMILES notation for 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one?
The canonical SMILES for 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one is CC1(C)c2ccccc2C(c2ccc3c(=O)c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4oc3c2)c2ccccc21.
What is the InChIKey of 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one?
The InChIKey is POCKGUOPPFXACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H35NO2/c1-43(2)33-15-7-5-13-29(33)41(30-14-6-8-16-34(30)43)27-21-23-31-39(25-27)47-40-26-28(22-24-32(40)42(31)46)45-37-19-11-9-17-35(37)44(3,4)36-18-10-12-20-38(36)45/h5-26,41H,1-4H3.
What are the key properties of 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one?
3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one has a molecular weight of 609.77 g/mol, XLogP of 10.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethylacridin-10-yl)-6-(10,10-dimethyl-9H-anthracen-9-yl)xanthen-9-one is sourced from PubChem (CID 121337021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).