3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol

C33H25N3S — CID 171579701

IUPAC3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol
SMILESCC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3ccc4c(n3)c(S)cc3ccccc34)ccc21
InChIInChI=1S/C33H25N3S/c1-33(2)25-11-5-6-12-28(25)36(31-13-7-8-18-34-31)29-19-22(14-16-26(29)33)27-17-15-24-23-10-4-3-9-21(23)20-30(37)32(24)35-27/h3-20,37H,1-2H3
InChIKeySZAAAAZQTBPLCZ-UHFFFAOYSA-N
MW495.65 g/mol
LogP8.85
Rot. Bonds2

About 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol

3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol (PubChem CID 171579701) has the molecular formula C33H25N3S and a molecular weight of 495.65 g/mol. Its IUPAC name is 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol.

Molecular Properties

Compound Name3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol
PubChem CID171579701
Molecular FormulaC33H25N3S
Molecular Weight495.65 g/mol
Exact Mass495.18
IUPAC Name3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol
SMILESCC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3ccc4c(n3)c(S)cc3ccccc34)ccc21
InChIInChI=1S/C33H25N3S/c1-33(2)25-11-5-6-12-28(25)36(31-13-7-8-18-34-31)29-19-22(14-16-26(29)33)27-17-15-24-23-10-4-3-9-21(23)20-30(37)32(24)35-27/h3-20,37H,1-2H3
InChIKeySZAAAAZQTBPLCZ-UHFFFAOYSA-N
XLogP8.85
TPSA29.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.65
LogP ≤ 58.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinolin-5-ol
CID 171580330
2-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-5-phenylquinolin-8-ol
CID 171580342
9,9-dimethyl-10-pyridin-2-ylacridin-3-ol
CID 118539200
2-[9,9-dimethyl-10-(4-methyl-2-pyridinyl)acridin-3-yl]-7-phenylquinoline-8-thiol
CID 171580328
15-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)-8,8-bis(trideuteriomethyl)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-ol
CID 171580001
5-(dimethylamino)-2-[9,9-dimethyl-10-(4-propan-2-yl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171579788
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-N-phenylquinolin-8-amine
CID 171579859
7-(dimethylamino)-2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]quinolin-8-ol
CID 171580134
2-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]-5-(2-phenylethynyl)quinolin-8-ol
CID 171580421
2-[9,9-dimethyl-10-(4-phenyl-2-pyridinyl)acridin-3-yl]-8-hydroxyquinoline-7-carbonitrile
CID 171579740
3-[1-(2,6-dimethylphenyl)imidazol-4-yl]-9,9-dimethyl-10-(9-pyridin-2-ylcarbazol-2-yl)acridine
CID 140709598
11-(23,23-dimethyl-19-hexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaenyl)benzo[f][1,10]phenanthroline
CID 121368489

Frequently Asked Questions

What is the IUPAC name of 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol?
The IUPAC name of 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol (CID 171579701) is 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol.
What is the SMILES notation for 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol?
The canonical SMILES for 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol is CC1(C)c2ccccc2N(c2ccccn2)c2cc(-c3ccc4c(n3)c(S)cc3ccccc34)ccc21.
What is the InChIKey of 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol?
The InChIKey is SZAAAAZQTBPLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N3S/c1-33(2)25-11-5-6-12-28(25)36(31-13-7-8-18-34-31)29-19-22(14-16-26(29)33)27-17-15-24-23-10-4-3-9-21(23)20-30(37)32(24)35-27/h3-20,37H,1-2H3.
What are the key properties of 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol?
3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol has a molecular weight of 495.65 g/mol, XLogP of 8.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9,9-dimethyl-10-pyridin-2-ylacridin-3-yl)benzo[f]quinoline-5-thiol is sourced from PubChem (CID 171579701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).